1-(2-amino-3-phenylpropanoyl)-N-phenylpiperidine-4-carboxamide;hydrochloride

C21H26ClN3O2 — CID 119272890

IUPAC1-(2-amino-3-phenylpropanoyl)-N-phenylpiperidine-4-carboxamide;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H25N3O2.ClH/c22-19(15-16-7-3-1-4-8-16)21(26)24-13-11-17(12-14-24)20(25)23-18-9-5-2-6-10-18;/h1-10,17,19H,11-15,22H2,(H,23,25);1H
InChIKeyCMHKLMJSHIQTDW-UHFFFAOYSA-N
MW387.91 g/mol
LogP2.86
Rot. Bonds5

About 1-(2-amino-3-phenylpropanoyl)-N-phenylpiperidine-4-carboxamide;hydrochloride

1-(2-amino-3-phenylpropanoyl)-N-phenylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119272890) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 1-(2-amino-3-phenylpropanoyl)-N-phenylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-amino-3-phenylpropanoyl)-N-phenylpiperidine-4-carboxamide;hydrochloride
PubChem CID119272890
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name1-(2-amino-3-phenylpropanoyl)-N-phenylpiperidine-4-carboxamide;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H25N3O2.ClH/c22-19(15-16-7-3-1-4-8-16)21(26)24-13-11-17(12-14-24)20(25)23-18-9-5-2-6-10-18;/h1-10,17,19H,11-15,22H2,(H,23,25);1H
InChIKeyCMHKLMJSHIQTDW-UHFFFAOYSA-N
XLogP2.86
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 119278106
(2S)-2-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonyl]amino]-3-methylbutanoic acid;hydrochloride
CID 52993906
N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 119276864
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
N-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119275880
1-[(2S)-2-amino-3-phenylpropanoyl]-N-[(2S)-3-methyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]piperidine-4-carboxamide
CID 40872505
1-[(2S)-2-amino-3-phenylpropanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119287834
(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 119842941
(2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119323399
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
(2R)-2-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 7093458
1-(2-amino-3-phenylpropanoyl)-N-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 3816360

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-phenylpropanoyl)-N-phenylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(2-amino-3-phenylpropanoyl)-N-phenylpiperidine-4-carboxamide;hydrochloride (CID 119272890) is 1-(2-amino-3-phenylpropanoyl)-N-phenylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-amino-3-phenylpropanoyl)-N-phenylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-amino-3-phenylpropanoyl)-N-phenylpiperidine-4-carboxamide;hydrochloride is Cl.NC(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-(2-amino-3-phenylpropanoyl)-N-phenylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is CMHKLMJSHIQTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c22-19(15-16-7-3-1-4-8-16)21(26)24-13-11-17(12-14-24)20(25)23-18-9-5-2-6-10-18;/h1-10,17,19H,11-15,22H2,(H,23,25);1H.
What are the key properties of 1-(2-amino-3-phenylpropanoyl)-N-phenylpiperidine-4-carboxamide;hydrochloride?
1-(2-amino-3-phenylpropanoyl)-N-phenylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-phenylpropanoyl)-N-phenylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119272890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).