4-(2-Piperidin-1-yl-phenylcarbamoyl)-butyric acid
Basic information
- CAS
436088-56-1- Standard SMILES
O=C(O)CCCC(=O)Nc1ccccc1N1CCCCC1- InChIKey
AMQIUZXLKVSGIP-UHFFFAOYSA-N- Molecular formula
- C16H22N2O3
- Average molar mass
- 290.36 g/mol
- Monoisotopic mass
- 290.16304257
Names & identifiers
- Preferred name
- 4-(2-Piperidin-1-yl-phenylcarbamoyl)-butyric acid
- IUPAC
- 5-oxo-5-(2-piperidin-1-ylanilino)pentanoic acid
- English name
- 4-(2-Piperidin-1-yl-phenylcarbamoyl)-butyric acid
- Molecular formula
- C16H22N2O3
- Molecular weight
- 290.36
Names & synonyms
436088-56-14-(2-Piperidin-1-yl-phenylcarbamoyl)-butyric acid5-Oxo-5-((2-(piperidin-1-yl)phenyl)amino)pentanoic acid5-oxo-5-(2-piperidin-1-ylanilino)pentanoic acid4-[N-(2-piperidylphenyl)carbamoyl]butanoic acidBAS 03775120Pentanoic acid,5-oxo-5-[[2-(1-piperidinyl)phenyl]amino]-4-(2-piperidin-1-yl-phenylcarbamoyl)butyric acidOprea1_148004Oprea1_527835SCHEMBL2555188DTXSID30356345
Show more names
TIMTEC-BB SBB0122755-oxo-5-[2-(1-piperidinyl)anilino]pentanoatePentanoic acid, 5-oxo-5-[[2-(1-piperidinyl)phenyl]amino]-
SBB012275AKOS000300477DB-051127ST50018400SR-010003160355-Oxo-5-[2-(piperidin-1-yl)anilino]pentanoic acidSR-01000316035-15-Oxo-5-((2-(piperidin-1-yl)phenyl)amino)pentanoicacid
Database identifiers
- CAS
436088-56-1- PubChem CID
- 821966
- DTXSID
DTXSID30356345
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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