1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide

C23H28N2O2 — CID 55604563

IUPAC1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)cc1
InChIInChI=1S/C23H28N2O2/c1-17(2)19-10-12-21(13-11-19)24-23(27)20-9-6-14-25(16-20)22(26)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,20H,6,9,14-16H2,1-2H3,(H,24,27)
InChIKeyDRRVNCUXEODCMO-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.23
Rot. Bonds5

About 1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide

1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (PubChem CID 55604563) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
PubChem CID55604563
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)cc1
InChIInChI=1S/C23H28N2O2/c1-17(2)19-10-12-21(13-11-19)24-23(27)20-9-6-14-25(16-20)22(26)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,20H,6,9,14-16H2,1-2H3,(H,24,27)
InChIKeyDRRVNCUXEODCMO-UHFFFAOYSA-N
XLogP4.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607476
N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55608650
(3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide
CID 94161545
(3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 95352112
methyl 2-[[4-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]benzoyl]amino]acetate
CID 55607181
(3S)-1-N,1-N-dimethyl-3-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1,3-dicarboxamide
CID 51956223
(3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide
CID 51937770
1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 2981997
1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide
CID 119697874
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46481378
(3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide
CID 27745627
(2R)-4-methyl-2-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119363661

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (CID 55604563) is 1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is CC(C)c1ccc(NC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)cc1.
What is the InChIKey of 1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The InChIKey is DRRVNCUXEODCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17(2)19-10-12-21(13-11-19)24-23(27)20-9-6-14-25(16-20)22(26)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,20H,6,9,14-16H2,1-2H3,(H,24,27).
What are the key properties of 1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 55604563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).