1-benzyl-5-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)piperidine-3-carboxamide

C28H31FN2O — CID 42866536

IUPAC1-benzyl-5-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCc1cc(C2CC(C(=O)NC(C)c3ccccc3)CN(Cc3ccccc3)C2)ccc1F
InChIInChI=1S/C28H31FN2O/c1-20-15-24(13-14-27(20)29)25-16-26(19-31(18-25)17-22-9-5-3-6-10-22)28(32)30-21(2)23-11-7-4-8-12-23/h3-15,21,25-26H,16-19H2,1-2H3,(H,30,32)
InChIKeyCEHAYIFRDWNWAJ-UHFFFAOYSA-N
MW430.57 g/mol
LogP5.62
Rot. Bonds6

About 1-benzyl-5-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)piperidine-3-carboxamide

1-benzyl-5-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)piperidine-3-carboxamide (PubChem CID 42866536) has the molecular formula C28H31FN2O and a molecular weight of 430.57 g/mol. Its IUPAC name is 1-benzyl-5-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)piperidine-3-carboxamide
PubChem CID42866536
Molecular FormulaC28H31FN2O
Molecular Weight430.57 g/mol
Exact Mass430.24
IUPAC Name1-benzyl-5-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCc1cc(C2CC(C(=O)NC(C)c3ccccc3)CN(Cc3ccccc3)C2)ccc1F
InChIInChI=1S/C28H31FN2O/c1-20-15-24(13-14-27(20)29)25-16-26(19-31(18-25)17-22-9-5-3-6-10-22)28(32)30-21(2)23-11-7-4-8-12-23/h3-15,21,25-26H,16-19H2,1-2H3,(H,30,32)
InChIKeyCEHAYIFRDWNWAJ-UHFFFAOYSA-N
XLogP5.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.57
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5S)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)-3-N-[(1R)-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 129420900
(3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 92996089
(3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 98635565
(4-benzylpiperazin-1-yl)-[(3S,5R)-5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 92997366
5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 42866558
(4-benzylpiperazin-1-yl)-[(3S,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluoro-3-methylphenyl)piperidin-3-yl]methanone
CID 92997394
1-[(2-chlorophenyl)methyl]-5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 46067702
N-[2-(dimethylamino)ethyl]-5-(4-fluoro-3-methylphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 42866616
1-[(4-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 2187102
(3R,5R)-5-(4-fluoro-3-methylphenyl)-3-N-[(3-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 92996947
N-(2,4-dimethoxyphenyl)-5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 42869899
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-benzyl-5-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)piperidine-3-carboxamide (CID 42866536) is 1-benzyl-5-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-5-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-5-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)piperidine-3-carboxamide is Cc1cc(C2CC(C(=O)NC(C)c3ccccc3)CN(Cc3ccccc3)C2)ccc1F.
What is the InChIKey of 1-benzyl-5-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)piperidine-3-carboxamide?
The InChIKey is CEHAYIFRDWNWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN2O/c1-20-15-24(13-14-27(20)29)25-16-26(19-31(18-25)17-22-9-5-3-6-10-22)28(32)30-21(2)23-11-7-4-8-12-23/h3-15,21,25-26H,16-19H2,1-2H3,(H,30,32).
What are the key properties of 1-benzyl-5-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)piperidine-3-carboxamide?
1-benzyl-5-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)piperidine-3-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 42866536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).