1-cyclohexyl-4-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]pyrrolidin-2-one

C23H32N2O3 — CID 136584044

IUPAC1-cyclohexyl-4-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCCCC2)C1)N1CC[C@H](c2ccccc2)[C@H](CO)C1
InChIInChI=1S/C23H32N2O3/c26-16-19-14-24(12-11-21(19)17-7-3-1-4-8-17)23(28)18-13-22(27)25(15-18)20-9-5-2-6-10-20/h1,3-4,7-8,18-21,26H,2,5-6,9-16H2/t18?,19-,21+/m0/s1
InChIKeyHIJXBURSPGIMIR-IZOREMLJSA-N
MW384.52 g/mol
LogP2.79
Rot. Bonds4

About 1-cyclohexyl-4-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]pyrrolidin-2-one

1-cyclohexyl-4-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 136584044) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-cyclohexyl-4-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID136584044
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name1-cyclohexyl-4-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCCCC2)C1)N1CC[C@H](c2ccccc2)[C@H](CO)C1
InChIInChI=1S/C23H32N2O3/c26-16-19-14-24(12-11-21(19)17-7-3-1-4-8-17)23(28)18-13-22(27)25(15-18)20-9-5-2-6-10-20/h1,3-4,7-8,18-21,26H,2,5-6,9-16H2/t18?,19-,21+/m0/s1
InChIKeyHIJXBURSPGIMIR-IZOREMLJSA-N
XLogP2.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 2986614
(4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 51565669
1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 79403206
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
CID 27536013
(4R)-4-(4-benzylsulfonylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 9209266
1-cyclopropyl-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 43422106
1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17257425
(3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124682709
1-cyclopentyl-4-(3-hydroxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 55179169
1-cyclopentyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 46654438
(4S)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364634

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-4-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]pyrrolidin-2-one (CID 136584044) is 1-cyclohexyl-4-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-4-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]pyrrolidin-2-one is O=C(C1CC(=O)N(C2CCCCC2)C1)N1CC[C@H](c2ccccc2)[C@H](CO)C1.
What is the InChIKey of 1-cyclohexyl-4-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is HIJXBURSPGIMIR-IZOREMLJSA-N. The full InChI is InChI=1S/C23H32N2O3/c26-16-19-14-24(12-11-21(19)17-7-3-1-4-8-17)23(28)18-13-22(27)25(15-18)20-9-5-2-6-10-20/h1,3-4,7-8,18-21,26H,2,5-6,9-16H2/t18?,19-,21+/m0/s1.
What are the key properties of 1-cyclohexyl-4-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]pyrrolidin-2-one?
1-cyclohexyl-4-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 384.52 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 136584044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).