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

C22H27N3O2 — CID 136580049

IUPACN-(1-amino-1-oxo-2-phenylpropan-2-yl)-1-benzylpiperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(Cc2ccccc2)CC1)(C(N)=O)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-22(21(23)27,19-10-6-3-7-11-19)24-20(26)18-12-14-25(15-13-18)16-17-8-4-2-5-9-17/h2-11,18H,12-16H2,1H3,(H2,23,27)(H,24,26)
InChIKeyORHXQDMRJOFPOV-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.42
Rot. Bonds6

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

N-(1-amino-1-oxo-2-phenylpropan-2-yl)-1-benzylpiperidine-4-carboxamide (PubChem CID 136580049) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(1-amino-1-oxo-2-phenylpropan-2-yl)-1-benzylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxo-2-phenylpropan-2-yl)-1-benzylpiperidine-4-carboxamide
PubChem CID136580049
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(1-amino-1-oxo-2-phenylpropan-2-yl)-1-benzylpiperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(Cc2ccccc2)CC1)(C(N)=O)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-22(21(23)27,19-10-6-3-7-11-19)24-20(26)18-12-14-25(15-13-18)16-17-8-4-2-5-9-17/h2-11,18H,12-16H2,1H3,(H2,23,27)(H,24,26)
InChIKeyORHXQDMRJOFPOV-UHFFFAOYSA-N
XLogP2.42
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(2,2-dimethylpropyl)piperidine-4-carboxamide
CID 141383860
2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide
CID 61211452
3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 119250204
(1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate
CID 10693138
N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1076504
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
3-(1-benzylpiperidin-4-yl)-2,2-diphenylpropanamide
CID 19970196
2-(cycloheptanecarbonylamino)-2-phenylpropanoic acid
CID 62586316
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
1-(1-benzylpiperidin-4-yl)butane-1,3-dione
CID 82665728
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-2-phenylpropan-2-yl)-1-benzylpiperidine-4-carboxamide?
The IUPAC name of N-(1-amino-1-oxo-2-phenylpropan-2-yl)-1-benzylpiperidine-4-carboxamide (CID 136580049) is N-(1-amino-1-oxo-2-phenylpropan-2-yl)-1-benzylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxo-2-phenylpropan-2-yl)-1-benzylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-amino-1-oxo-2-phenylpropan-2-yl)-1-benzylpiperidine-4-carboxamide is CC(NC(=O)C1CCN(Cc2ccccc2)CC1)(C(N)=O)c1ccccc1.
What is the InChIKey of N-(1-amino-1-oxo-2-phenylpropan-2-yl)-1-benzylpiperidine-4-carboxamide?
The InChIKey is ORHXQDMRJOFPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-22(21(23)27,19-10-6-3-7-11-19)24-20(26)18-12-14-25(15-13-18)16-17-8-4-2-5-9-17/h2-11,18H,12-16H2,1H3,(H2,23,27)(H,24,26).
What are the key properties of N-(1-amino-1-oxo-2-phenylpropan-2-yl)-1-benzylpiperidine-4-carboxamide?
N-(1-amino-1-oxo-2-phenylpropan-2-yl)-1-benzylpiperidine-4-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.42, 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-2-phenylpropan-2-yl)-1-benzylpiperidine-4-carboxamide is sourced from PubChem (CID 136580049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).