(3S,5R)-N-[(2R)-butan-2-yl]-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide

C23H27FN2O2 — CID 92994677

IUPAC(3S,5R)-N-[(2R)-butan-2-yl]-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H27FN2O2/c1-3-16(2)25-22(27)20-13-19(17-7-5-4-6-8-17)14-26(15-20)23(28)18-9-11-21(24)12-10-18/h4-12,16,19-20H,3,13-15H2,1-2H3,(H,25,27)/t16-,19+,20+/m1/s1
InChIKeyIVVOPKRDLNHKQE-UXPWSPDFSA-N
MW382.48 g/mol
LogP3.99
Rot. Bonds5

About (3S,5R)-N-[(2R)-butan-2-yl]-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide

(3S,5R)-N-[(2R)-butan-2-yl]-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide (PubChem CID 92994677) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is (3S,5R)-N-[(2R)-butan-2-yl]-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5R)-N-[(2R)-butan-2-yl]-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
PubChem CID92994677
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name(3S,5R)-N-[(2R)-butan-2-yl]-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H27FN2O2/c1-3-16(2)25-22(27)20-13-19(17-7-5-4-6-8-17)14-26(15-20)23(28)18-9-11-21(24)12-10-18/h4-12,16,19-20H,3,13-15H2,1-2H3,(H,25,27)/t16-,19+,20+/m1/s1
InChIKeyIVVOPKRDLNHKQE-UXPWSPDFSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide
CID 46071052
(3S,5R)-N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide
CID 92999981
(3R,5S)-N-cyclopropyl-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 92994693
1-(4-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide
CID 46064987
1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 46065014
(3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 92994765
N-(4-chlorophenyl)-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868400
(3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 39724050
3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119220587
1-benzoyl-N-butan-2-yl-6-(4-fluorophenyl)piperidine-3-carboxamide
CID 46041495
5-(4-ethylphenyl)-1-(4-fluorobenzoyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 46065084
(3S,5R)-5-(4-ethylphenyl)-1-(4-fluorobenzoyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 92994964

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-N-[(2R)-butan-2-yl]-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S,5R)-N-[(2R)-butan-2-yl]-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide (CID 92994677) is (3S,5R)-N-[(2R)-butan-2-yl]-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,5R)-N-[(2R)-butan-2-yl]-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S,5R)-N-[(2R)-butan-2-yl]-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide is CC[C@@H](C)NC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (3S,5R)-N-[(2R)-butan-2-yl]-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide?
The InChIKey is IVVOPKRDLNHKQE-UXPWSPDFSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-3-16(2)25-22(27)20-13-19(17-7-5-4-6-8-17)14-26(15-20)23(28)18-9-11-21(24)12-10-18/h4-12,16,19-20H,3,13-15H2,1-2H3,(H,25,27)/t16-,19+,20+/m1/s1.
What are the key properties of (3S,5R)-N-[(2R)-butan-2-yl]-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide?
(3S,5R)-N-[(2R)-butan-2-yl]-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide has a molecular weight of 382.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-N-[(2R)-butan-2-yl]-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 92994677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).