(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one

C17H22N2O2 — CID 92719146

IUPAC(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C1
InChIInChI=1S/C17H22N2O2/c1-13-6-5-9-18(11-13)17(21)14-10-16(20)19(12-14)15-7-3-2-4-8-15/h2-4,7-8,13-14H,5-6,9-12H2,1H3/t13-,14+/m1/s1
InChIKeyOTPRDTKQFYWWCU-KGLIPLIRSA-N
MW286.37 g/mol
LogP2.30
Rot. Bonds2

About (4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one

(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one (PubChem CID 92719146) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is (4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
PubChem CID92719146
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C1
InChIInChI=1S/C17H22N2O2/c1-13-6-5-9-18(11-13)17(21)14-10-16(20)19(12-14)15-7-3-2-4-8-15/h2-4,7-8,13-14H,5-6,9-12H2,1H3/t13-,14+/m1/s1
InChIKeyOTPRDTKQFYWWCU-KGLIPLIRSA-N
XLogP2.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 9350587
1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 17081750
4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110633189
4-[3-(methoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 90505007
(4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392063
4-[3-(fluoromethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 155976717
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
(4S)-1-(3-chloro-4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351913
1-(3-fluoro-4-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 42939807
(4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158638
4-(3-methylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 113190000

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one (CID 92719146) is (4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one is C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C1.
What is the InChIKey of (4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The InChIKey is OTPRDTKQFYWWCU-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-6-5-9-18(11-13)17(21)14-10-16(20)19(12-14)15-7-3-2-4-8-15/h2-4,7-8,13-14H,5-6,9-12H2,1H3/t13-,14+/m1/s1.
What are the key properties of (4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one has a molecular weight of 286.37 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 92719146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).