4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide

C21H23F2N3O2 — CID 95065481

IUPAC4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESC[C@H](C(=O)Nc1ccccc1F)C1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C21H23F2N3O2/c1-14(20(27)25-19-5-3-2-4-18(19)23)15-10-12-26(13-11-15)21(28)24-17-8-6-16(22)7-9-17/h2-9,14-15H,10-13H2,1H3,(H,24,28)(H,25,27)/t14-/m0/s1
InChIKeyAHAABBAYNRUCDA-AWEZNQCLSA-N
MW387.43 g/mol
LogP4.48
Rot. Bonds4

About 4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide

4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide (PubChem CID 95065481) has the molecular formula C21H23F2N3O2 and a molecular weight of 387.43 g/mol. Its IUPAC name is 4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
PubChem CID95065481
Molecular FormulaC21H23F2N3O2
Molecular Weight387.43 g/mol
Exact Mass387.18
IUPAC Name4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESC[C@H](C(=O)Nc1ccccc1F)C1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C21H23F2N3O2/c1-14(20(27)25-19-5-3-2-4-18(19)23)15-10-12-26(13-11-15)21(28)24-17-8-6-16(22)7-9-17/h2-9,14-15H,10-13H2,1H3,(H,24,28)(H,25,27)/t14-/m0/s1
InChIKeyAHAABBAYNRUCDA-AWEZNQCLSA-N
XLogP4.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(2-chloroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 53057970
N-(4-chlorophenyl)-4-[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 95065411
N-(4-chlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 53057939
4-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 95065297
ethyl 3-[2-[1-[(4-fluorophenyl)carbamoyl]piperidin-4-yl]propanoylamino]benzoate
CID 53057988
4-[(2S)-1-(2-chloro-4-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 95065281
N-(4-chlorophenyl)-4-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 53057941
4-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 95065335
4-[1-(4-acetylanilino)-1-oxopropan-2-yl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 46295328
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836659
N-(4-fluorophenyl)-2-(4-phenylcyclohexyl)propanamide
CID 121325032
(2R)-N-(4-fluorophenyl)-2-(4-methylcyclohexyl)propanamide
CID 138502747

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide (CID 95065481) is 4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide is C[C@H](C(=O)Nc1ccccc1F)C1CCN(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is AHAABBAYNRUCDA-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23F2N3O2/c1-14(20(27)25-19-5-3-2-4-18(19)23)15-10-12-26(13-11-15)21(28)24-17-8-6-16(22)7-9-17/h2-9,14-15H,10-13H2,1H3,(H,24,28)(H,25,27)/t14-/m0/s1.
What are the key properties of 4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 387.43 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 95065481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).