(3R,5S)-N-cyclopropyl-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide

C22H23FN2O2 — CID 92994693

IUPAC(3R,5S)-N-cyclopropyl-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C22H23FN2O2/c23-19-8-6-16(7-9-19)22(27)25-13-17(15-4-2-1-3-5-15)12-18(14-25)21(26)24-20-10-11-20/h1-9,17-18,20H,10-14H2,(H,24,26)/t17-,18-/m1/s1
InChIKeyJIWBLXYDJNMWJW-QZTJIDSGSA-N
MW366.44 g/mol
LogP3.35
Rot. Bonds4

About (3R,5S)-N-cyclopropyl-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide

(3R,5S)-N-cyclopropyl-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide (PubChem CID 92994693) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is (3R,5S)-N-cyclopropyl-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-cyclopropyl-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
PubChem CID92994693
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name(3R,5S)-N-cyclopropyl-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C22H23FN2O2/c23-19-8-6-16(7-9-19)22(27)25-13-17(15-4-2-1-3-5-15)12-18(14-25)21(26)24-20-10-11-20/h1-9,17-18,20H,10-14H2,(H,24,26)/t17-,18-/m1/s1
InChIKeyJIWBLXYDJNMWJW-QZTJIDSGSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5R)-1-benzoyl-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide
CID 92996658
N-(4-chlorophenyl)-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868400
(3S,5R)-N-[(2R)-butan-2-yl]-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 92994677
1-(4-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide
CID 46064987
3-N-cyclopropyl-1-N-ethyl-5-phenylpiperidine-1,3-dicarboxamide
CID 42865415
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 46065014
(3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 92994765
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134799195
N-(4-phenylcyclohexyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55594757
N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 95051653
N-(3,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868424

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-cyclopropyl-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide?
The IUPAC name of (3R,5S)-N-cyclopropyl-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide (CID 92994693) is (3R,5S)-N-cyclopropyl-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N-cyclopropyl-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N-cyclopropyl-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide is O=C(NC1CC1)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (3R,5S)-N-cyclopropyl-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide?
The InChIKey is JIWBLXYDJNMWJW-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-19-8-6-16(7-9-19)22(27)25-13-17(15-4-2-1-3-5-15)12-18(14-25)21(26)24-20-10-11-20/h1-9,17-18,20H,10-14H2,(H,24,26)/t17-,18-/m1/s1.
What are the key properties of (3R,5S)-N-cyclopropyl-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide?
(3R,5S)-N-cyclopropyl-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-cyclopropyl-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 92994693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).