1-benzoyl-N-butan-2-yl-6-(4-fluorophenyl)piperidine-3-carboxamide

C23H27FN2O2 — CID 46041495

IUPAC1-benzoyl-N-butan-2-yl-6-(4-fluorophenyl)piperidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CCC(c2ccc(F)cc2)N(C(=O)c2ccccc2)C1
InChIInChI=1S/C23H27FN2O2/c1-3-16(2)25-22(27)19-11-14-21(17-9-12-20(24)13-10-17)26(15-19)23(28)18-7-5-4-6-8-18/h4-10,12-13,16,19,21H,3,11,14-15H2,1-2H3,(H,25,27)
InChIKeyWOXGBFLMWYCWQN-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.33
Rot. Bonds5

About 1-benzoyl-N-butan-2-yl-6-(4-fluorophenyl)piperidine-3-carboxamide

1-benzoyl-N-butan-2-yl-6-(4-fluorophenyl)piperidine-3-carboxamide (PubChem CID 46041495) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 1-benzoyl-N-butan-2-yl-6-(4-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-butan-2-yl-6-(4-fluorophenyl)piperidine-3-carboxamide
PubChem CID46041495
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name1-benzoyl-N-butan-2-yl-6-(4-fluorophenyl)piperidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CCC(c2ccc(F)cc2)N(C(=O)c2ccccc2)C1
InChIInChI=1S/C23H27FN2O2/c1-3-16(2)25-22(27)19-11-14-21(17-9-12-20(24)13-10-17)26(15-19)23(28)18-7-5-4-6-8-18/h4-10,12-13,16,19,21H,3,11,14-15H2,1-2H3,(H,25,27)
InChIKeyWOXGBFLMWYCWQN-UHFFFAOYSA-N
XLogP4.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,6R)-3-N-[(2S)-butan-2-yl]-1-N-(2,4-difluorophenyl)-6-phenylpiperidine-1,3-dicarboxamide
CID 93328341
3-N-butan-2-yl-1-N-(2,4-difluorophenyl)-6-phenylpiperidine-1,3-dicarboxamide
CID 46041601
6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42849481
(3S,5R)-N-[(2R)-butan-2-yl]-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 92994677
(3R,6S)-3-N-[(2S)-butan-2-yl]-1-N-ethyl-6-(4-fluoro-3-methylphenyl)piperidine-1,3-dicarboxamide
CID 100900934
1-N-butyl-6-(4-fluorophenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
CID 46041648
1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 41024910
(3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopropanecarbonyl)-6-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 92995078
(3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 39724050
(3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopentanecarbonyl)-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328301
(3R,6S)-3-N-[(2S)-butan-2-yl]-1-N-butyl-6-(4-fluoro-3-methylphenyl)piperidine-1,3-dicarboxamide
CID 92997251
3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119220587

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-butan-2-yl-6-(4-fluorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-benzoyl-N-butan-2-yl-6-(4-fluorophenyl)piperidine-3-carboxamide (CID 46041495) is 1-benzoyl-N-butan-2-yl-6-(4-fluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-benzoyl-N-butan-2-yl-6-(4-fluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-benzoyl-N-butan-2-yl-6-(4-fluorophenyl)piperidine-3-carboxamide is CCC(C)NC(=O)C1CCC(c2ccc(F)cc2)N(C(=O)c2ccccc2)C1.
What is the InChIKey of 1-benzoyl-N-butan-2-yl-6-(4-fluorophenyl)piperidine-3-carboxamide?
The InChIKey is WOXGBFLMWYCWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-3-16(2)25-22(27)19-11-14-21(17-9-12-20(24)13-10-17)26(15-19)23(28)18-7-5-4-6-8-18/h4-10,12-13,16,19,21H,3,11,14-15H2,1-2H3,(H,25,27).
What are the key properties of 1-benzoyl-N-butan-2-yl-6-(4-fluorophenyl)piperidine-3-carboxamide?
1-benzoyl-N-butan-2-yl-6-(4-fluorophenyl)piperidine-3-carboxamide has a molecular weight of 382.48 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-butan-2-yl-6-(4-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 46041495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).