1-(cyclohexanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide

C27H33FN2O2 — CID 95805713

IUPAC1-(cyclohexanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C27H33FN2O2/c1-29-26(32)27(15-17-30(18-16-27)25(31)22-7-3-2-4-8-22)19-20-11-13-21(14-12-20)23-9-5-6-10-24(23)28/h5-6,9-14,22H,2-4,7-8,15-19H2,1H3,(H,29,32)
InChIKeyUNWWLJKZNFZJJP-UHFFFAOYSA-N
MW436.57 g/mol
LogP4.97
Rot. Bonds5

About 1-(cyclohexanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide

1-(cyclohexanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 95805713) has the molecular formula C27H33FN2O2 and a molecular weight of 436.57 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide
PubChem CID95805713
Molecular FormulaC27H33FN2O2
Molecular Weight436.57 g/mol
Exact Mass436.25
IUPAC Name1-(cyclohexanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C27H33FN2O2/c1-29-26(32)27(15-17-30(18-16-27)25(31)22-7-3-2-4-8-22)19-20-11-13-21(14-12-20)23-9-5-6-10-24(23)28/h5-6,9-14,22H,2-4,7-8,15-19H2,1H3,(H,29,32)
InChIKeyUNWWLJKZNFZJJP-UHFFFAOYSA-N
XLogP4.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.57
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 110082405
4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 92620773
1-(cyclohexanecarbonyl)-N-methyl-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083763
4-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 95805736
(3S)-1-(cyclopropanecarbonyl)-N-ethyl-3-[[4-(2-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide
CID 92591824
(3R)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609672
3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N-methylpiperidine-3-carboxamide
CID 110232546
1-(cyclopentanecarbonyl)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110231496
(3R)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxypropanoyl)-N-methylpiperidine-3-carboxamide
CID 92609375
1-(cyclopentanecarbonyl)-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110231007
(3S)-1-(cyclopropanecarbonyl)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 92579727
(3R)-1-(cyclopropanecarbonyl)-N-methyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 92558381

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(cyclohexanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide (CID 95805713) is 1-(cyclohexanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclohexanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(cyclohexanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is UNWWLJKZNFZJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN2O2/c1-29-26(32)27(15-17-30(18-16-27)25(31)22-7-3-2-4-8-22)19-20-11-13-21(14-12-20)23-9-5-6-10-24(23)28/h5-6,9-14,22H,2-4,7-8,15-19H2,1H3,(H,29,32).
What are the key properties of 1-(cyclohexanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide?
1-(cyclohexanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 436.57 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 95805713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).