N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide

C21H30N2O2 — CID 110347354

IUPACN-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H30N2O2/c24-20(18-12-6-2-7-13-18)22-19(16-17-10-4-1-5-11-17)21(25)23-14-8-3-9-15-23/h1,4-5,10-11,18-19H,2-3,6-9,12-16H2,(H,22,24)/t19-/m0/s1
InChIKeyVWOHVJRDDVBSAN-IBGZPJMESA-N
MW342.48 g/mol
LogP3.31
Rot. Bonds5

About N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide

N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide (PubChem CID 110347354) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
PubChem CID110347354
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H30N2O2/c24-20(18-12-6-2-7-13-18)22-19(16-17-10-4-1-5-11-17)21(25)23-14-8-3-9-15-23/h1,4-5,10-11,18-19H,2-3,6-9,12-16H2,(H,22,24)/t19-/m0/s1
InChIKeyVWOHVJRDDVBSAN-IBGZPJMESA-N
XLogP3.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
2-(cyclopropylmethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride
CID 119762010
methyl N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110347389
(3R)-1-methyl-5-oxo-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
CID 95303357
(2S,5R)-5-(aminomethyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120790959
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 125149297
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-(cyclobutanecarbonyl)piperidine-4-carboxamide
CID 72864947
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-3-phenylpropanamide
CID 110347374
(2S)-2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119366391
2-amino-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 119310977
2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119165825

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide (CID 110347354) is N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide is O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)C1CCCCC1.
What is the InChIKey of N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide?
The InChIKey is VWOHVJRDDVBSAN-IBGZPJMESA-N. The full InChI is InChI=1S/C21H30N2O2/c24-20(18-12-6-2-7-13-18)22-19(16-17-10-4-1-5-11-17)21(25)23-14-8-3-9-15-23/h1,4-5,10-11,18-19H,2-3,6-9,12-16H2,(H,22,24)/t19-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide?
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide has a molecular weight of 342.48 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 110347354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).