4-N-[2-(aminomethyl)cyclopentyl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride

C21H33ClN4O2 — CID 119605290

IUPAC4-N-[2-(aminomethyl)cyclopentyl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride
SMILESCN(Cc1ccccc1)C(=O)N1CCC(C(=O)NC2CCCC2CN)CC1.Cl
InChIInChI=1S/C21H32N4O2.ClH/c1-24(15-16-6-3-2-4-7-16)21(27)25-12-10-17(11-13-25)20(26)23-19-9-5-8-18(19)14-22;/h2-4,6-7,17-19H,5,8-15,22H2,1H3,(H,23,26);1H
InChIKeyFJJQWOAZQGBFIJ-UHFFFAOYSA-N
MW408.97 g/mol
LogP2.62
Rot. Bonds5

About 4-N-[2-(aminomethyl)cyclopentyl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride

4-N-[2-(aminomethyl)cyclopentyl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride (PubChem CID 119605290) has the molecular formula C21H33ClN4O2 and a molecular weight of 408.97 g/mol. Its IUPAC name is 4-N-[2-(aminomethyl)cyclopentyl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name4-N-[2-(aminomethyl)cyclopentyl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride
PubChem CID119605290
Molecular FormulaC21H33ClN4O2
Molecular Weight408.97 g/mol
Exact Mass408.23
IUPAC Name4-N-[2-(aminomethyl)cyclopentyl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride
SMILESCN(Cc1ccccc1)C(=O)N1CCC(C(=O)NC2CCCC2CN)CC1.Cl
InChIInChI=1S/C21H32N4O2.ClH/c1-24(15-16-6-3-2-4-7-16)21(27)25-12-10-17(11-13-25)20(26)23-19-9-5-8-18(19)14-22;/h2-4,6-7,17-19H,5,8-15,22H2,1H3,(H,23,26);1H
InChIKeyFJJQWOAZQGBFIJ-UHFFFAOYSA-N
XLogP2.62
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.97
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[2-(aminomethyl)cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119610286
4-N-[3-(aminomethyl)pentan-3-yl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119572092
1-[benzyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030695
4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride
CID 119376921
N-[2-(aminomethyl)cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119611127
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride
CID 119413514
N-[2-(aminomethyl)cyclopentyl]-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 119602492
N-benzyl-N-methyl-4-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-1-carboxamide;hydrochloride
CID 119398967
4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride
CID 119296596
4-N-[(2R)-2-benzamidocyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 46103923
N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119601158
N-[2-(aminomethyl)cyclohexyl]-1-benzoylpiperidine-3-carboxamide
CID 119612151

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(aminomethyl)cyclopentyl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride?
The IUPAC name of 4-N-[2-(aminomethyl)cyclopentyl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride (CID 119605290) is 4-N-[2-(aminomethyl)cyclopentyl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 4-N-[2-(aminomethyl)cyclopentyl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride?
The canonical SMILES for 4-N-[2-(aminomethyl)cyclopentyl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride is CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NC2CCCC2CN)CC1.Cl.
What is the InChIKey of 4-N-[2-(aminomethyl)cyclopentyl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride?
The InChIKey is FJJQWOAZQGBFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2.ClH/c1-24(15-16-6-3-2-4-7-16)21(27)25-12-10-17(11-13-25)20(26)23-19-9-5-8-18(19)14-22;/h2-4,6-7,17-19H,5,8-15,22H2,1H3,(H,23,26);1H.
What are the key properties of 4-N-[2-(aminomethyl)cyclopentyl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride?
4-N-[2-(aminomethyl)cyclopentyl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride has a molecular weight of 408.97 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(aminomethyl)cyclopentyl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 119605290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).