1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride

C20H32ClN3O2 — CID 120591036

IUPAC1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
SMILESCCCC(C)NC(=O)C1CCCN(C(=O)C(C)(N)c2ccccc2)C1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-4-9-15(2)22-18(24)16-10-8-13-23(14-16)19(25)20(3,21)17-11-6-5-7-12-17;/h5-7,11-12,15-16H,4,8-10,13-14,21H2,1-3H3,(H,22,24);1H
InChIKeyPSJLHXMKRFYJNA-UHFFFAOYSA-N
MW381.95 g/mol
LogP2.83
Rot. Bonds6

About 1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride

1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride (PubChem CID 120591036) has the molecular formula C20H32ClN3O2 and a molecular weight of 381.95 g/mol. Its IUPAC name is 1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
PubChem CID120591036
Molecular FormulaC20H32ClN3O2
Molecular Weight381.95 g/mol
Exact Mass381.22
IUPAC Name1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
SMILESCCCC(C)NC(=O)C1CCCN(C(=O)C(C)(N)c2ccccc2)C1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-4-9-15(2)22-18(24)16-10-8-13-23(14-16)19(25)20(3,21)17-11-6-5-7-12-17;/h5-7,11-12,15-16H,4,8-10,13-14,21H2,1-3H3,(H,22,24);1H
InChIKeyPSJLHXMKRFYJNA-UHFFFAOYSA-N
XLogP2.83
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 103195275
2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120593588
2-amino-1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 122080668
4-[[[3-(pentan-2-ylcarbamoyl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122019649
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 62488931
1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 49404500
1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 47984430
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 60607238
1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63031396
(3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94367783
1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119311679
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 106586749

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride (CID 120591036) is 1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride is CCCC(C)NC(=O)C1CCCN(C(=O)C(C)(N)c2ccccc2)C1.Cl.
What is the InChIKey of 1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is PSJLHXMKRFYJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.ClH/c1-4-9-15(2)22-18(24)16-10-8-13-23(14-16)19(25)20(3,21)17-11-6-5-7-12-17;/h5-7,11-12,15-16H,4,8-10,13-14,21H2,1-3H3,(H,22,24);1H.
What are the key properties of 1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride?
1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120591036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).