1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide

C23H25FN2O2 — CID 134035144

IUPAC1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(F)cc1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C23H25FN2O2/c24-20-10-8-17(9-11-20)21(16-4-2-1-3-5-16)25-22(27)18-12-14-26(15-13-18)23(28)19-6-7-19/h1-5,8-11,18-19,21H,6-7,12-15H2,(H,25,27)
InChIKeyOGCGJPJQZRVVGW-UHFFFAOYSA-N
MW380.46 g/mol
LogP3.68
Rot. Bonds5

About 1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide (PubChem CID 134035144) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
PubChem CID134035144
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(F)cc1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C23H25FN2O2/c24-20-10-8-17(9-11-20)21(16-4-2-1-3-5-16)25-22(27)18-12-14-26(15-13-18)23(28)19-6-7-19/h1-5,8-11,18-19,21H,6-7,12-15H2,(H,25,27)
InChIKeyOGCGJPJQZRVVGW-UHFFFAOYSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[bis(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674116
N-[(4-chlorophenyl)-phenylmethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 55376976
1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 55583452
1-(cyclopropanecarbonyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126472444
(2R)-2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 97271919
1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
CID 41441647
(3R)-3-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid
CID 97274460
N-benzhydrylpiperidine-4-carboxamide
CID 119263888
N-[(4-ethoxyphenyl)-phenylmethyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 46441707
(3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 38102948
1-N-benzyl-4-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-1,4-dicarboxamide
CID 126475651
N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121427392

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide (CID 134035144) is 1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide is O=C(NC(c1ccccc1)c1ccc(F)cc1)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide?
The InChIKey is OGCGJPJQZRVVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c24-20-10-8-17(9-11-20)21(16-4-2-1-3-5-16)25-22(27)18-12-14-26(15-13-18)23(28)19-6-7-19/h1-5,8-11,18-19,21H,6-7,12-15H2,(H,25,27).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 134035144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).