(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one

C18H24N2O2 — CID 9350587

IUPAC(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C1
InChIInChI=1S/C18H24N2O2/c1-13-8-14(2)11-19(10-13)18(22)15-9-17(21)20(12-15)16-6-4-3-5-7-16/h3-7,13-15H,8-12H2,1-2H3/t13-,14-,15-/m1/s1
InChIKeyYHZYPLNHDILGSR-RBSFLKMASA-N
MW300.40 g/mol
LogP2.54
Rot. Bonds2

About (4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one

(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one (PubChem CID 9350587) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
PubChem CID9350587
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C1
InChIInChI=1S/C18H24N2O2/c1-13-8-14(2)11-19(10-13)18(22)15-9-17(21)20(12-15)16-6-4-3-5-7-16/h3-7,13-15H,8-12H2,1-2H3/t13-,14-,15-/m1/s1
InChIKeyYHZYPLNHDILGSR-RBSFLKMASA-N
XLogP2.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17082169
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146
N-[4-[(4S)-4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 27844701
(4S)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 7438163
(4R)-1-(3,4-dimethylphenyl)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392799
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 7374839
4-[3-(4-ethylpiperazin-1-yl)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 126891892
N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153825
4-(4-methyl-3-phenylpiperazine-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 110610513
4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110629361

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one (CID 9350587) is (4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one is C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C1.
What is the InChIKey of (4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The InChIKey is YHZYPLNHDILGSR-RBSFLKMASA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-8-14(2)11-19(10-13)18(22)15-9-17(21)20(12-15)16-6-4-3-5-7-16/h3-7,13-15H,8-12H2,1-2H3/t13-,14-,15-/m1/s1.
What are the key properties of (4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one has a molecular weight of 300.40 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 9350587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).