Nbump

HCID 64622

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Basic information

CAS: 134390-72-0
Standard SMILES: COc1ccccc1N1CCN(CCCCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIKey: PRZPXKIXNNNNCD-UHFFFAOYSA-N
Molecular formula: C26H39N3O2
Average molar mass: 425.6 g/mol
Monoisotopic mass: 425.3042275

Names & identifiers

Preferred name: Nbump
IUPAC: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]adamantane-1-carboxamide

Names & synonyms

NBUMPG184WXO36JUNII-G184WXO36JRK-153134390-72-0N-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)tricyclo(3.3.1.13,7)decane-1-carboxamideTricyclo(3.3.1.13,7)decane-1-carboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-RefChem:164914CHEMBL26533N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]adamantane-1-carboxamideSCHEMBL8925143DTXSID901029353

Show more names

BDBM50007170PD075739Q12746157Adamantane-1-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide

Database identifiers

CAS: 134390-72-0
PubChem CID: 64622
DTXSID: DTXSID901029353
ChEMBL: CHEMBL26533
UNII: G184WXO36J
Nikkaji: J421.435H

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 44.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 31
Formal charge: 0
Complexity: 574

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