1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide

C22H26N2O2 — CID 113004094

IUPAC1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-17(19-10-6-3-7-11-19)23-22(26)20-12-14-24(15-13-20)21(25)16-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3,(H,23,26)
InChIKeyYCEBUGGJONJZPI-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.35
Rot. Bonds5

About 1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide

1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide (PubChem CID 113004094) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide
PubChem CID113004094
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-17(19-10-6-3-7-11-19)23-22(26)20-12-14-24(15-13-20)21(25)16-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3,(H,23,26)
InChIKeyYCEBUGGJONJZPI-UHFFFAOYSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004076
ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
CID 46798149
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
tert-butyl 4-[[(1R)-1-phenylethyl]carbamoyl]piperidine-1-carboxylate
CID 7323759
1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004083
1-(4-chlorobenzoyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 1326341
N-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 46037057
1-[(4-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 2187102
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
(3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 95352112
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 1343521

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide (CID 113004094) is 1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The InChIKey is YCEBUGGJONJZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-17(19-10-6-3-7-11-19)23-22(26)20-12-14-24(15-13-20)21(25)16-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3,(H,23,26).
What are the key properties of 1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.35, 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-(1-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 113004094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).