N-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride

C17H32ClN3O2 — CID 119475324

IUPACN-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
SMILESCCC(C)C(=O)N1CCCC(C(=O)NC2CCC(N)CC2)C1.Cl
InChIInChI=1S/C17H31N3O2.ClH/c1-3-12(2)17(22)20-10-4-5-13(11-20)16(21)19-15-8-6-14(18)7-9-15;/h12-15H,3-11,18H2,1-2H3,(H,19,21);1H
InChIKeyDAJYSWADMSSOMJ-UHFFFAOYSA-N
MW345.92 g/mol
LogP2.08
Rot. Bonds4

About N-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119475324) has the molecular formula C17H32ClN3O2 and a molecular weight of 345.92 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119475324
Molecular FormulaC17H32ClN3O2
Molecular Weight345.92 g/mol
Exact Mass345.22
IUPAC NameN-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
SMILESCCC(C)C(=O)N1CCCC(C(=O)NC2CCC(N)CC2)C1.Cl
InChIInChI=1S/C17H31N3O2.ClH/c1-3-12(2)17(22)20-10-4-5-13(11-20)16(21)19-15-8-6-14(18)7-9-15;/h12-15H,3-11,18H2,1-2H3,(H,19,21);1H
InChIKeyDAJYSWADMSSOMJ-UHFFFAOYSA-N
XLogP2.08
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.92
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678615
N-(4-aminocyclohexyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119478354
N-(4-aminocyclohexyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 119479204
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119188599
(3S)-N-cyclopropyl-1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide
CID 95104508
2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 119560583
1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119592618
N-(3-hydroxy-4-methylpentyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 111460809
(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide
CID 95318260
1-(2-methylbutanoyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119510783
N-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride
CID 119478130

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride (CID 119475324) is N-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride is CCC(C)C(=O)N1CCCC(C(=O)NC2CCC(N)CC2)C1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is DAJYSWADMSSOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2.ClH/c1-3-12(2)17(22)20-10-4-5-13(11-20)16(21)19-15-8-6-14(18)7-9-15;/h12-15H,3-11,18H2,1-2H3,(H,19,21);1H.
What are the key properties of N-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 345.92 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119475324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).