1-(cyclopropanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide

C26H31FN2O2 — CID 110082405

IUPAC1-(cyclopropanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C26H31FN2O2/c1-18(2)28-25(31)26(13-15-29(16-14-26)24(30)21-11-12-21)17-19-7-9-20(10-8-19)22-5-3-4-6-23(22)27/h3-10,18,21H,11-17H2,1-2H3,(H,28,31)
InChIKeyVFYOPVQUDBHHKY-UHFFFAOYSA-N
MW422.54 g/mol
LogP4.58
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide

1-(cyclopropanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 110082405) has the molecular formula C26H31FN2O2 and a molecular weight of 422.54 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID110082405
Molecular FormulaC26H31FN2O2
Molecular Weight422.54 g/mol
Exact Mass422.24
IUPAC Name1-(cyclopropanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C26H31FN2O2/c1-18(2)28-25(31)26(13-15-29(16-14-26)24(30)21-11-12-21)17-19-7-9-20(10-8-19)22-5-3-4-6-23(22)27/h3-10,18,21H,11-17H2,1-2H3,(H,28,31)
InChIKeyVFYOPVQUDBHHKY-UHFFFAOYSA-N
XLogP4.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 95805736
1-(cyclohexanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 95805713
(3S)-1-(cyclopropanecarbonyl)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 92579727
1-(cyclopropanecarbonyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 155982803
4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 92620773
(3S)-1-(cyclopropanecarbonyl)-N-ethyl-3-[[4-(2-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide
CID 92591824
1-(cyclopentanecarbonyl)-N-propan-2-yl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805849
1-(cyclohexanecarbonyl)-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231368
1-(cyclopropanecarbonyl)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110231502
1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 124968901
1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[[3-(2-methylphenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 95805840
1-(cyclopropanecarbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083448

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 110082405) is 1-(cyclopropanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is VFYOPVQUDBHHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN2O2/c1-18(2)28-25(31)26(13-15-29(16-14-26)24(30)21-11-12-21)17-19-7-9-20(10-8-19)22-5-3-4-6-23(22)27/h3-10,18,21H,11-17H2,1-2H3,(H,28,31).
What are the key properties of 1-(cyclopropanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 422.54 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 110082405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).