(3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide

C23H27FN2O2 — CID 39724050

IUPAC(3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H27FN2O2/c1-17(9-10-18-6-3-2-4-7-18)25-22(27)20-8-5-15-26(16-20)23(28)19-11-13-21(24)14-12-19/h2-4,6-7,11-14,17,20H,5,8-10,15-16H2,1H3,(H,25,27)/t17-,20+/m1/s1
InChIKeyDXKVOTWRHAYKOX-XLIONFOSSA-N
MW382.48 g/mol
LogP3.82
Rot. Bonds6

About (3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide

(3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide (PubChem CID 39724050) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is (3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
PubChem CID39724050
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name(3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H27FN2O2/c1-17(9-10-18-6-3-2-4-7-18)25-22(27)20-8-5-15-26(16-20)23(28)19-11-13-21(24)14-12-19/h2-4,6-7,11-14,17,20H,5,8-10,15-16H2,1H3,(H,25,27)/t17-,20+/m1/s1
InChIKeyDXKVOTWRHAYKOX-XLIONFOSSA-N
XLogP3.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119220587
N-[2-(dimethylamino)-3-phenylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55484095
1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride
CID 120831343
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
(2S)-2-[(1-benzoylpiperidine-3-carbonyl)amino]propanoic acid
CID 119238223
N-(2-amino-2-phenylethyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119527413
methyl 2-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]-4-methylpentanoate
CID 51276366
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18103430
(3S,5R)-N-[(2R)-butan-2-yl]-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 92994677
2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119165825
1-(4-chlorobenzoyl)-N-(1-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 78856900
N-[1-(3-bromophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55577882

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide (CID 39724050) is (3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide is C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide?
The InChIKey is DXKVOTWRHAYKOX-XLIONFOSSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-17(9-10-18-6-3-2-4-7-18)25-22(27)20-8-5-15-26(16-20)23(28)19-11-13-21(24)14-12-19/h2-4,6-7,11-14,17,20H,5,8-10,15-16H2,1H3,(H,25,27)/t17-,20+/m1/s1.
What are the key properties of (3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide?
(3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide has a molecular weight of 382.48 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 39724050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).