1-acetyl-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide

C22H26N2O2 — CID 46041424

IUPAC1-acetyl-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NC(C)c2ccccc2)CCC1c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-16(18-9-5-3-6-10-18)23-22(26)20-13-14-21(24(15-20)17(2)25)19-11-7-4-8-12-19/h3-12,16,20-21H,13-15H2,1-2H3,(H,23,26)
InChIKeyYPMKFOQXUOJIAT-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.86
Rot. Bonds4

About 1-acetyl-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide

1-acetyl-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide (PubChem CID 46041424) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-acetyl-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide
PubChem CID46041424
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-acetyl-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NC(C)c2ccccc2)CCC1c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-16(18-9-5-3-6-10-18)23-22(26)20-13-14-21(24(15-20)17(2)25)19-11-7-4-8-12-19/h3-12,16,20-21H,13-15H2,1-2H3,(H,23,26)
InChIKeyYPMKFOQXUOJIAT-UHFFFAOYSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopentanecarbonyl)-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42849427
(3R,6S)-1-N-benzyl-6-phenyl-3-N-[(1S)-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 99768177
6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42849481
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
1-N-butyl-6-(4-fluorophenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
CID 46041648
(3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 174863774
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
N-[(1R)-1-phenylethyl]azetidine-3-carboxamide
CID 79026254
(3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 7319798
1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004076
(3R)-1-(benzenesulfonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 39878026
1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 47984430

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide (CID 46041424) is 1-acetyl-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide is CC(=O)N1CC(C(=O)NC(C)c2ccccc2)CCC1c1ccccc1.
What is the InChIKey of 1-acetyl-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide?
The InChIKey is YPMKFOQXUOJIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16(18-9-5-3-6-10-18)23-22(26)20-13-14-21(24(15-20)17(2)25)19-11-7-4-8-12-19/h3-12,16,20-21H,13-15H2,1-2H3,(H,23,26).
What are the key properties of 1-acetyl-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide?
1-acetyl-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 46041424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).