N-(3-amino-4-methylpentyl)-1-benzoyl-N-methylpiperidine-4-carboxamide;hydrochloride

C20H32ClN3O2 — CID 119659992

IUPACN-(3-amino-4-methylpentyl)-1-benzoyl-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)C1CCN(C(=O)c2ccccc2)CC1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-15(2)18(21)11-12-22(3)19(24)17-9-13-23(14-10-17)20(25)16-7-5-4-6-8-16;/h4-8,15,17-18H,9-14,21H2,1-3H3;1H
InChIKeyDNIKDOUMDNQFPT-UHFFFAOYSA-N
MW381.95 g/mol
LogP2.79
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-1-benzoyl-N-methylpiperidine-4-carboxamide;hydrochloride

N-(3-amino-4-methylpentyl)-1-benzoyl-N-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119659992) has the molecular formula C20H32ClN3O2 and a molecular weight of 381.95 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-1-benzoyl-N-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-1-benzoyl-N-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID119659992
Molecular FormulaC20H32ClN3O2
Molecular Weight381.95 g/mol
Exact Mass381.22
IUPAC NameN-(3-amino-4-methylpentyl)-1-benzoyl-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)C1CCN(C(=O)c2ccccc2)CC1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-15(2)18(21)11-12-22(3)19(24)17-9-13-23(14-10-17)20(25)16-7-5-4-6-8-16;/h4-8,15,17-18H,9-14,21H2,1-3H3;1H
InChIKeyDNIKDOUMDNQFPT-UHFFFAOYSA-N
XLogP2.79
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119659328
4-[(1-benzoylpiperidine-4-carbonyl)-methylamino]butanoic acid
CID 119173154
N-(3-amino-4-methylpentyl)-1-benzoyl-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
CID 119659766
N-(3-amino-4-methylpentyl)-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119657976
1-benzoyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide
CID 110307099
1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one
CID 59178266
1-benzoyl-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide
CID 136528098
1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 41024910
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 81485803
2-(1-benzoylpiperidin-4-yl)propanamide
CID 70046438
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 81487197

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-1-benzoyl-N-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-1-benzoyl-N-methylpiperidine-4-carboxamide;hydrochloride (CID 119659992) is N-(3-amino-4-methylpentyl)-1-benzoyl-N-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-1-benzoyl-N-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-1-benzoyl-N-methylpiperidine-4-carboxamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)C1CCN(C(=O)c2ccccc2)CC1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-1-benzoyl-N-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is DNIKDOUMDNQFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.ClH/c1-15(2)18(21)11-12-22(3)19(24)17-9-13-23(14-10-17)20(25)16-7-5-4-6-8-16;/h4-8,15,17-18H,9-14,21H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-1-benzoyl-N-methylpiperidine-4-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-1-benzoyl-N-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-1-benzoyl-N-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119659992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).