Basic information
- Standard SMILES
O=C(NCC1CCN(c2ccncc2)CC1)Nc1ccccc1[N+](=O)[O-]- InChIKey
OIFQZKYISLQKAV-UHFFFAOYSA-N- Molecular formula
- C18H21N5O3
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.16443955
Names & identifiers
- Preferred name
- 2-[1-(4-Pyridyl)piperidin-4-ylmethylaminocarbonyl]amino-nitrobenzene
- IUPAC
- 1-(2-nitrophenyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
Names & synonyms
SCHEMBL5222933OIFQZKYISLQKAV-UHFFFAOYSA-N2-[1-(4-Pyridyl)piperidin-4-ylmethylaminocarbonyl]amino-nitrobenzene
Database identifiers
- PubChem CID
- 18174469
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 470
Related reactions
6 records
Compound notes
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