(4S)-N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide

C16H21FN2O2 — CID 97311981

IUPAC(4S)-N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESC[C@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCN(C)C(=O)C1
InChIInChI=1S/C16H21FN2O2/c1-11(9-12-3-5-14(17)6-4-12)18-16(21)13-7-8-19(2)15(20)10-13/h3-6,11,13H,7-10H2,1-2H3,(H,18,21)/t11-,13+/m1/s1
InChIKeyOYIWWMLZVIBLRJ-YPMHNXCESA-N
MW292.35 g/mol
LogP1.74
Rot. Bonds4

About (4S)-N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide

(4S)-N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide (PubChem CID 97311981) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is (4S)-N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide
PubChem CID97311981
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name(4S)-N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESC[C@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCN(C)C(=O)C1
InChIInChI=1S/C16H21FN2O2/c1-11(9-12-3-5-14(17)6-4-12)18-16(21)13-7-8-19(2)15(20)10-13/h3-6,11,13H,7-10H2,1-2H3,(H,18,21)/t11-,13+/m1/s1
InChIKeyOYIWWMLZVIBLRJ-YPMHNXCESA-N
XLogP1.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 63010034
1-methyl-2-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-4-carboxamide
CID 51088386
(2R)-2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 97215052
N-[1-(4-fluorophenyl)propan-2-yl]-6-methylpiperidine-3-carboxamide
CID 63008649
N-[4-(furan-2-yl)butan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 75414137
1-methyl-N-[1-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide
CID 145353936
(3S)-1-[2-(4-fluorophenyl)ethyl]-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9374389
(4R)-1-methyl-N-[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]-2-oxopiperidine-4-carboxamide
CID 95337098
1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 46705210
N-[(2R)-butan-2-yl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802421
(4S)-N-[(1R)-1-(2-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 94169792
ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
CID 166127802

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide (CID 97311981) is (4S)-N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide is C[C@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCN(C)C(=O)C1.
What is the InChIKey of (4S)-N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide?
The InChIKey is OYIWWMLZVIBLRJ-YPMHNXCESA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-11(9-12-3-5-14(17)6-4-12)18-16(21)13-7-8-19(2)15(20)10-13/h3-6,11,13H,7-10H2,1-2H3,(H,18,21)/t11-,13+/m1/s1.
What are the key properties of (4S)-N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide?
(4S)-N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 97311981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).