N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-cyclohexylpiperidine-4-carboxamide

C21H31N3O2 — CID 156607431

IUPACN-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-cyclohexylpiperidine-4-carboxamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H31N3O2/c22-20(25)19(15-16-7-3-1-4-8-16)23-21(26)17-11-13-24(14-12-17)18-9-5-2-6-10-18/h1,3-4,7-8,17-19H,2,5-6,9-15H2,(H2,22,25)(H,23,26)
InChIKeyYLSJPEKUYWIACH-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.24
Rot. Bonds6

About N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-cyclohexylpiperidine-4-carboxamide

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-cyclohexylpiperidine-4-carboxamide (PubChem CID 156607431) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-cyclohexylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-cyclohexylpiperidine-4-carboxamide
PubChem CID156607431
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-cyclohexylpiperidine-4-carboxamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H31N3O2/c22-20(25)19(15-16-7-3-1-4-8-16)23-21(26)17-11-13-24(14-12-17)18-9-5-2-6-10-18/h1,3-4,7-8,17-19H,2,5-6,9-15H2,(H2,22,25)(H,23,26)
InChIKeyYLSJPEKUYWIACH-UHFFFAOYSA-N
XLogP2.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-(cyclobutanecarbonyl)piperidine-4-carboxamide
CID 72864947
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 110347354
tert-butyl 4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]piperidine-1-carboxylate
CID 48735739
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide
CID 18734987
2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide
CID 48735757
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 125149297
(2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-phenylpropanamide
CID 11067759
(2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
CID 119367273
(2R)-2-[(1-benzoylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
CID 119367535
N-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]cyclohexanecarboxamide
CID 7064689
(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-(3-hydroxyphenyl)sulfanylpiperidine-2-carboxamide
CID 88587408

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-cyclohexylpiperidine-4-carboxamide?
The IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-cyclohexylpiperidine-4-carboxamide (CID 156607431) is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-cyclohexylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-cyclohexylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-cyclohexylpiperidine-4-carboxamide is NC(=O)C(Cc1ccccc1)NC(=O)C1CCN(C2CCCCC2)CC1.
What is the InChIKey of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-cyclohexylpiperidine-4-carboxamide?
The InChIKey is YLSJPEKUYWIACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c22-20(25)19(15-16-7-3-1-4-8-16)23-21(26)17-11-13-24(14-12-17)18-9-5-2-6-10-18/h1,3-4,7-8,17-19H,2,5-6,9-15H2,(H2,22,25)(H,23,26).
What are the key properties of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-cyclohexylpiperidine-4-carboxamide?
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-cyclohexylpiperidine-4-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-cyclohexylpiperidine-4-carboxamide is sourced from PubChem (CID 156607431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).