(4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one

C24H33N3O3 — CID 9375191

IUPAC(4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N4CCCC[C@H]4C)CC3)CC2=O)cc1
InChIInChI=1S/C24H33N3O3/c1-17-6-8-21(9-7-17)27-16-20(15-22(27)28)23(29)25-13-10-19(11-14-25)24(30)26-12-4-3-5-18(26)2/h6-9,18-20H,3-5,10-16H2,1-2H3/t18-,20-/m1/s1
InChIKeyDFYJEUMBKKPUCM-UYAOXDASSA-N
MW411.55 g/mol
LogP2.99
Rot. Bonds3

About (4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 9375191) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is (4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID9375191
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name(4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N4CCCC[C@H]4C)CC3)CC2=O)cc1
InChIInChI=1S/C24H33N3O3/c1-17-6-8-21(9-7-17)27-16-20(15-22(27)28)23(29)25-13-10-19(11-14-25)24(30)26-12-4-3-5-18(26)2/h6-9,18-20H,3-5,10-16H2,1-2H3/t18-,20-/m1/s1
InChIKeyDFYJEUMBKKPUCM-UYAOXDASSA-N
XLogP2.99
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 9375187
1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 17081750
N-[4-[(4S)-4-[(2R)-2-methylpiperidine-1-carbonyl]-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 27210941
(4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 92850355
(4R)-1-(4-ethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9389079
N-(4-acetamidophenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964122
4-[4-(methylamino)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 119563164
(4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 41168133
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 119437039
N-cyclohexyl-N-ethyl-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 17081813
1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,2,4-triazol-4-yl)piperidine-4-carboxamide
CID 9375058
2-[1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]acetic acid
CID 119178799

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 9375191) is (4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one is Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N4CCCC[C@H]4C)CC3)CC2=O)cc1.
What is the InChIKey of (4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is DFYJEUMBKKPUCM-UYAOXDASSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-17-6-8-21(9-7-17)27-16-20(15-22(27)28)23(29)25-13-10-19(11-14-25)24(30)26-12-4-3-5-18(26)2/h6-9,18-20H,3-5,10-16H2,1-2H3/t18-,20-/m1/s1.
What are the key properties of (4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 411.55 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 9375191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).