N-[2-(aminomethyl)cyclohexyl]-1-benzoylpiperidine-3-carboxamide

C20H29N3O2 — CID 119612151

IUPACN-[2-(aminomethyl)cyclohexyl]-1-benzoylpiperidine-3-carboxamide
SMILESNCC1CCCCC1NC(=O)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C20H29N3O2/c21-13-16-9-4-5-11-18(16)22-19(24)17-10-6-12-23(14-17)20(25)15-7-2-1-3-8-15/h1-3,7-8,16-18H,4-6,9-14,21H2,(H,22,24)
InChIKeyKHJMDACNCHQRFT-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.17
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-1-benzoylpiperidine-3-carboxamide

N-[2-(aminomethyl)cyclohexyl]-1-benzoylpiperidine-3-carboxamide (PubChem CID 119612151) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-1-benzoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-1-benzoylpiperidine-3-carboxamide
PubChem CID119612151
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-1-benzoylpiperidine-3-carboxamide
SMILESNCC1CCCCC1NC(=O)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C20H29N3O2/c21-13-16-9-4-5-11-18(16)22-19(24)17-10-6-12-23(14-17)20(25)15-7-2-1-3-8-15/h1-3,7-8,16-18H,4-6,9-14,21H2,(H,22,24)
InChIKeyKHJMDACNCHQRFT-UHFFFAOYSA-N
XLogP2.17
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119604378
4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229696
N-[2-(aminomethyl)cyclopentyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 119603072
1-benzoyl-N-(2-methylpiperidin-3-yl)piperidine-3-carboxamide;hydrochloride
CID 120577067
1-benzoyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69258968
1-benzoyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 110000883
1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119453805
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone
CID 120743578
1-benzoyl-N-[(1-hydroxycyclopentyl)methyl]piperidine-3-carboxamide
CID 111333032
1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119621206
N-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide
CID 119529448
N-[(2R)-2-acetamidocyclohexyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 46170994

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-benzoylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-benzoylpiperidine-3-carboxamide (CID 119612151) is N-[2-(aminomethyl)cyclohexyl]-1-benzoylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-1-benzoylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-1-benzoylpiperidine-3-carboxamide is NCC1CCCCC1NC(=O)C1CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-1-benzoylpiperidine-3-carboxamide?
The InChIKey is KHJMDACNCHQRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c21-13-16-9-4-5-11-18(16)22-19(24)17-10-6-12-23(14-17)20(25)15-7-2-1-3-8-15/h1-3,7-8,16-18H,4-6,9-14,21H2,(H,22,24).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-1-benzoylpiperidine-3-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-1-benzoylpiperidine-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-1-benzoylpiperidine-3-carboxamide is sourced from PubChem (CID 119612151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).