4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride

C20H31ClN4O2 — CID 119376921

IUPAC4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride
SMILESCN(Cc1ccccc1)C(=O)N1CCC(C(=O)N2CCC(N)CC2)CC1.Cl
InChIInChI=1S/C20H30N4O2.ClH/c1-22(15-16-5-3-2-4-6-16)20(26)24-11-7-17(8-12-24)19(25)23-13-9-18(21)10-14-23;/h2-6,17-18H,7-15,21H2,1H3;1H
InChIKeyVKRHIEKPWSCHCM-UHFFFAOYSA-N
MW394.95 g/mol
LogP2.32
Rot. Bonds3

About 4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride

4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride (PubChem CID 119376921) has the molecular formula C20H31ClN4O2 and a molecular weight of 394.95 g/mol. Its IUPAC name is 4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride
PubChem CID119376921
Molecular FormulaC20H31ClN4O2
Molecular Weight394.95 g/mol
Exact Mass394.21
IUPAC Name4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride
SMILESCN(Cc1ccccc1)C(=O)N1CCC(C(=O)N2CCC(N)CC2)CC1.Cl
InChIInChI=1S/C20H30N4O2.ClH/c1-22(15-16-5-3-2-4-6-16)20(26)24-11-7-17(8-12-24)19(25)23-13-9-18(21)10-14-23;/h2-6,17-18H,7-15,21H2,1H3;1H
InChIKeyVKRHIEKPWSCHCM-UHFFFAOYSA-N
XLogP2.32
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride
CID 119413514
4-[[(4-aminopiperidine-1-carbonyl)-methylamino]methyl]benzoic acid
CID 61402615
N-benzyl-N-methyl-4-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-1-carboxamide;hydrochloride
CID 119398967
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide
CID 119596833
1-[benzyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030695
4-N-[3-(aminomethyl)pentan-3-yl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119572092
4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride
CID 120788633
N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693651
4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride
CID 119296596
4-N-[2-(aminomethyl)cyclopentyl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119605290
(3-aminocyclohexyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119875229
1-(4-aminopiperidin-1-yl)-2-(dibenzylamino)ethanone
CID 119374335

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride?
The IUPAC name of 4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride (CID 119376921) is 4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride is CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N2CCC(N)CC2)CC1.Cl.
What is the InChIKey of 4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride?
The InChIKey is VKRHIEKPWSCHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2.ClH/c1-22(15-16-5-3-2-4-6-16)20(26)24-11-7-17(8-12-24)19(25)23-13-9-18(21)10-14-23;/h2-6,17-18H,7-15,21H2,1H3;1H.
What are the key properties of 4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride?
4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride has a molecular weight of 394.95 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 119376921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).