N-[2-(aminomethyl)cyclohexyl]-6-oxopiperidine-3-carboxamide;hydrochloride

C13H24ClN3O2 — CID 119611735

IUPACN-[2-(aminomethyl)cyclohexyl]-6-oxopiperidine-3-carboxamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C13H23N3O2.ClH/c14-7-9-3-1-2-4-11(9)16-13(18)10-5-6-12(17)15-8-10;/h9-11H,1-8,14H2,(H,15,17)(H,16,18);1H
InChIKeyRRLQQMQZDBBNCN-UHFFFAOYSA-N
MW289.81 g/mol
LogP0.57
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-6-oxopiperidine-3-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-6-oxopiperidine-3-carboxamide;hydrochloride (PubChem CID 119611735) has the molecular formula C13H24ClN3O2 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-6-oxopiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-6-oxopiperidine-3-carboxamide;hydrochloride
PubChem CID119611735
Molecular FormulaC13H24ClN3O2
Molecular Weight289.81 g/mol
Exact Mass289.16
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-6-oxopiperidine-3-carboxamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C13H23N3O2.ClH/c14-7-9-3-1-2-4-11(9)16-13(18)10-5-6-12(17)15-8-10;/h9-11H,1-8,14H2,(H,15,17)(H,16,18);1H
InChIKeyRRLQQMQZDBBNCN-UHFFFAOYSA-N
XLogP0.57
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-6-oxopiperidine-3-carboxamide;hydrochloride
CID 119604175
N-[(1R,2R)-2-aminocyclohexyl]-6-oxopiperidine-3-carboxamide
CID 103805817
N-[2-(aminomethyl)cyclohexyl]thiane-4-carboxamide
CID 119612086
N-(2-aminoethyl)-6-oxopiperidine-3-carboxamide
CID 81459337
[(1R,2S)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566827
[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566826
6-oxo-N-(5-oxopyrrolidin-3-yl)piperidine-3-carboxamide
CID 104580966
N-[2-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride
CID 119600451
N-[2-(aminomethyl)cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119611127
N-[2-(aminomethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119603187
cis-(1R,3S)-3-[(6-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106321143
6-oxo-N-[(3S)-pyrrolidin-3-yl]piperidine-3-carboxamide
CID 83192394

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-6-oxopiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-6-oxopiperidine-3-carboxamide;hydrochloride (CID 119611735) is N-[2-(aminomethyl)cyclohexyl]-6-oxopiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-6-oxopiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-6-oxopiperidine-3-carboxamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)C1CCC(=O)NC1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-6-oxopiperidine-3-carboxamide;hydrochloride?
The InChIKey is RRLQQMQZDBBNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2.ClH/c14-7-9-3-1-2-4-11(9)16-13(18)10-5-6-12(17)15-8-10;/h9-11H,1-8,14H2,(H,15,17)(H,16,18);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-6-oxopiperidine-3-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-6-oxopiperidine-3-carboxamide;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-6-oxopiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119611735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).