1-(4-aminopentanoyl)-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride

C21H32ClN3O2 — CID 120563140

IUPAC1-(4-aminopentanoyl)-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride
SMILESCC(N)CCC(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1.Cl
InChIInChI=1S/C21H31N3O2.ClH/c1-16(22)7-10-20(25)23-13-11-18(12-14-23)21(26)24(19-8-9-19)15-17-5-3-2-4-6-17;/h2-6,16,18-19H,7-15,22H2,1H3;1H
InChIKeyVBKKANDVQLECTE-UHFFFAOYSA-N
MW393.96 g/mol
LogP2.97
Rot. Bonds7

About 1-(4-aminopentanoyl)-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride

1-(4-aminopentanoyl)-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120563140) has the molecular formula C21H32ClN3O2 and a molecular weight of 393.96 g/mol. Its IUPAC name is 1-(4-aminopentanoyl)-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-aminopentanoyl)-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride
PubChem CID120563140
Molecular FormulaC21H32ClN3O2
Molecular Weight393.96 g/mol
Exact Mass393.22
IUPAC Name1-(4-aminopentanoyl)-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride
SMILESCC(N)CCC(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1.Cl
InChIInChI=1S/C21H31N3O2.ClH/c1-16(22)7-10-20(25)23-13-11-18(12-14-23)21(26)24(19-8-9-19)15-17-5-3-2-4-6-17;/h2-6,16,18-19H,7-15,22H2,1H3;1H
InChIKeyVBKKANDVQLECTE-UHFFFAOYSA-N
XLogP2.97
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120558672
N-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55633091
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46410310
2-amino-1-[3-[benzyl(cyclopropyl)amino]pyrrolidin-1-yl]propan-1-one
CID 77144157
N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004142
4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one
CID 63323897
4-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]pentan-1-one;hydrochloride
CID 120562065
N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9479280
4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 120559362
4-amino-1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one;dihydrochloride
CID 120564928
1-[4-[benzyl(methyl)amino]piperidin-1-yl]-2-chloroethanone
CID 66567050
3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119699766

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopentanoyl)-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(4-aminopentanoyl)-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride (CID 120563140) is 1-(4-aminopentanoyl)-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-aminopentanoyl)-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-aminopentanoyl)-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride is CC(N)CCC(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1.Cl.
What is the InChIKey of 1-(4-aminopentanoyl)-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is VBKKANDVQLECTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2.ClH/c1-16(22)7-10-20(25)23-13-11-18(12-14-23)21(26)24(19-8-9-19)15-17-5-3-2-4-6-17;/h2-6,16,18-19H,7-15,22H2,1H3;1H.
What are the key properties of 1-(4-aminopentanoyl)-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride?
1-(4-aminopentanoyl)-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 393.96 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopentanoyl)-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120563140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).