4-[[2-(3-fluorophenyl)phenyl]methyl]-1-(2-methylcyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide

C27H33FN2O2 — CID 132779067

IUPAC4-[[2-(3-fluorophenyl)phenyl]methyl]-1-(2-methylcyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)C2CC2C)CC1
InChIInChI=1S/C27H33FN2O2/c1-3-13-29-26(32)27(11-14-30(15-12-27)25(31)24-16-19(24)2)18-21-7-4-5-10-23(21)20-8-6-9-22(28)17-20/h4-10,17,19,24H,3,11-16,18H2,1-2H3,(H,29,32)
InChIKeyYCCYQBAEAGJQPF-UHFFFAOYSA-N
MW436.57 g/mol
LogP4.83
Rot. Bonds7

About 4-[[2-(3-fluorophenyl)phenyl]methyl]-1-(2-methylcyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide

4-[[2-(3-fluorophenyl)phenyl]methyl]-1-(2-methylcyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide (PubChem CID 132779067) has the molecular formula C27H33FN2O2 and a molecular weight of 436.57 g/mol. Its IUPAC name is 4-[[2-(3-fluorophenyl)phenyl]methyl]-1-(2-methylcyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-[[2-(3-fluorophenyl)phenyl]methyl]-1-(2-methylcyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide
PubChem CID132779067
Molecular FormulaC27H33FN2O2
Molecular Weight436.57 g/mol
Exact Mass436.25
IUPAC Name4-[[2-(3-fluorophenyl)phenyl]methyl]-1-(2-methylcyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)C2CC2C)CC1
InChIInChI=1S/C27H33FN2O2/c1-3-13-29-26(32)27(11-14-30(15-12-27)25(31)24-16-19(24)2)18-21-7-4-5-10-23(21)20-8-6-9-22(28)17-20/h4-10,17,19,24H,3,11-16,18H2,1-2H3,(H,29,32)
InChIKeyYCCYQBAEAGJQPF-UHFFFAOYSA-N
XLogP4.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.57
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propyl-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 124971116
4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 129454443
1-(cyclopropanecarbonyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 155982803
1-(2-cyclopent-2-en-1-ylacetyl)-N-ethyl-4-[[2-(3-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide
CID 155982799
N-ethyl-1-(2-methylcyclopropanecarbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232027
3-[[2-(3-methylphenyl)phenyl]methyl]-N-propyl-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide
CID 110232771
1-[(2S)-oxane-2-carbonyl]-N-propyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 125010180
4-[(2-phenylphenyl)methyl]-N-propylpiperidine-4-carboxamide
CID 66509295
3-[[2-(3-methylphenyl)phenyl]methyl]-N-propyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 110232770
N,N-dimethyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 124994587
(3S)-N-ethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 124910036
1-(2-ethylbutanoyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155982795

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-fluorophenyl)phenyl]methyl]-1-(2-methylcyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide?
The IUPAC name of 4-[[2-(3-fluorophenyl)phenyl]methyl]-1-(2-methylcyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide (CID 132779067) is 4-[[2-(3-fluorophenyl)phenyl]methyl]-1-(2-methylcyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 4-[[2-(3-fluorophenyl)phenyl]methyl]-1-(2-methylcyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 4-[[2-(3-fluorophenyl)phenyl]methyl]-1-(2-methylcyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)C2CC2C)CC1.
What is the InChIKey of 4-[[2-(3-fluorophenyl)phenyl]methyl]-1-(2-methylcyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide?
The InChIKey is YCCYQBAEAGJQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN2O2/c1-3-13-29-26(32)27(11-14-30(15-12-27)25(31)24-16-19(24)2)18-21-7-4-5-10-23(21)20-8-6-9-22(28)17-20/h4-10,17,19,24H,3,11-16,18H2,1-2H3,(H,29,32).
What are the key properties of 4-[[2-(3-fluorophenyl)phenyl]methyl]-1-(2-methylcyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide?
4-[[2-(3-fluorophenyl)phenyl]methyl]-1-(2-methylcyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide has a molecular weight of 436.57 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-fluorophenyl)phenyl]methyl]-1-(2-methylcyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 132779067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).