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

C21H34ClN3O2 — CID 119659766

IUPACN-(3-amino-4-methylpentyl)-1-benzoyl-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)C1(C)CCCN(C(=O)c2ccccc2)C1.Cl
InChIInChI=1S/C21H33N3O2.ClH/c1-16(2)18(22)11-14-23(4)20(26)21(3)12-8-13-24(15-21)19(25)17-9-6-5-7-10-17;/h5-7,9-10,16,18H,8,11-15,22H2,1-4H3;1H
InChIKeyAUQIOGZSBRQNEA-UHFFFAOYSA-N
MW395.98 g/mol
LogP3.18
Rot. Bonds6

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

N-(3-amino-4-methylpentyl)-1-benzoyl-N,3-dimethylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119659766) has the molecular formula C21H34ClN3O2 and a molecular weight of 395.98 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-1-benzoyl-N,3-dimethylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-1-benzoyl-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
PubChem CID119659766
Molecular FormulaC21H34ClN3O2
Molecular Weight395.98 g/mol
Exact Mass395.23
IUPAC NameN-(3-amino-4-methylpentyl)-1-benzoyl-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)C1(C)CCCN(C(=O)c2ccccc2)C1.Cl
InChIInChI=1S/C21H33N3O2.ClH/c1-16(2)18(22)11-14-23(4)20(26)21(3)12-8-13-24(15-21)19(25)17-9-6-5-7-10-17;/h5-7,9-10,16,18H,8,11-15,22H2,1-4H3;1H
InChIKeyAUQIOGZSBRQNEA-UHFFFAOYSA-N
XLogP3.18
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.98
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[[(3S)-1-benzoyl-3-methylpiperidine-3-carbonyl]-methylamino]ethyl]-N-methylcarbamate
CID 97332381
N-(3-amino-4-methylpentyl)-1-benzoyl-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119659992
N-(2-amino-2-methylpropyl)-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119628747
1-benzoyl-3-methyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119502630
[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methylpiperidin-1-yl]-phenylmethanone
CID 120819831
[3-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-phenylmethanone;hydrochloride
CID 119397317
(2S)-2-[(1-benzoyl-3-methylpiperidine-3-carbonyl)amino]hexanoic acid
CID 120614834
N-[2-(4-aminophenyl)ethyl]-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119548818
1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid
CID 63133492
1-benzoyl-N-[(1-hydroxycyclobutyl)methyl]-3-methylpiperidine-3-carboxamide
CID 111539458
1-(1-benzoyl-3-methylpiperidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355365
N-(3-amino-4-methylpentyl)-N-methyl-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 119659795

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-1-benzoyl-N,3-dimethylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-1-benzoyl-N,3-dimethylpiperidine-3-carboxamide;hydrochloride (CID 119659766) is N-(3-amino-4-methylpentyl)-1-benzoyl-N,3-dimethylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-1-benzoyl-N,3-dimethylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-1-benzoyl-N,3-dimethylpiperidine-3-carboxamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)C1(C)CCCN(C(=O)c2ccccc2)C1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-1-benzoyl-N,3-dimethylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is AUQIOGZSBRQNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2.ClH/c1-16(2)18(22)11-14-23(4)20(26)21(3)12-8-13-24(15-21)19(25)17-9-6-5-7-10-17;/h5-7,9-10,16,18H,8,11-15,22H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-1-benzoyl-N,3-dimethylpiperidine-3-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-1-benzoyl-N,3-dimethylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 395.98 g/mol, XLogP of 3.18, 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,3-dimethylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119659766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).