1-(cyclopropanecarbonyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide

C26H31FN2O2 — CID 155982803

IUPAC1-(cyclopropanecarbonyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C26H31FN2O2/c1-18(2)28-25(31)26(12-14-29(15-13-26)24(30)19-10-11-19)17-21-6-3-4-9-23(21)20-7-5-8-22(27)16-20/h3-9,16,18-19H,10-15,17H2,1-2H3,(H,28,31)
InChIKeyMTDFOIDWVMDFQT-UHFFFAOYSA-N
MW422.54 g/mol
LogP4.58
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide

1-(cyclopropanecarbonyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 155982803) has the molecular formula C26H31FN2O2 and a molecular weight of 422.54 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID155982803
Molecular FormulaC26H31FN2O2
Molecular Weight422.54 g/mol
Exact Mass422.24
IUPAC Name1-(cyclopropanecarbonyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C26H31FN2O2/c1-18(2)28-25(31)26(12-14-29(15-13-26)24(30)19-10-11-19)17-21-6-3-4-9-23(21)20-7-5-8-22(27)16-20/h3-9,16,18-19H,10-15,17H2,1-2H3,(H,28,31)
InChIKeyMTDFOIDWVMDFQT-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-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 110083648
1-(cyclopropanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 110082405
(3R)-1-(3-fluorobenzoyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579909
4-[[2-(3-fluorophenyl)phenyl]methyl]-1-(2-methylcyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide
CID 132779067
1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231879
1-(cyclohex-3-ene-1-carbonyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155982797
1-propanoyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 92620731
1-(cyclopropanecarbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083448
1-[(3-fluorophenyl)methyl]-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231071
1-(cyclobutanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231737
1-(2-cyclopent-2-en-1-ylacetyl)-N-ethyl-4-[[2-(3-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide
CID 155982799
1-(cyclopentanecarbonyl)-N-propan-2-yl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805849

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 155982803) is 1-(cyclopropanecarbonyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is MTDFOIDWVMDFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN2O2/c1-18(2)28-25(31)26(12-14-29(15-13-26)24(30)19-10-11-19)17-21-6-3-4-9-23(21)20-7-5-8-22(27)16-20/h3-9,16,18-19H,10-15,17H2,1-2H3,(H,28,31).
What are the key properties of 1-(cyclopropanecarbonyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-4-[[2-(3-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-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 155982803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).