1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one

C24H33N3O3 — CID 17081750

IUPAC1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCC(C(=O)N4CCCC(C)C4)CC3)CC2=O)cc1
InChIInChI=1S/C24H33N3O3/c1-17-5-7-21(8-6-17)27-16-20(14-22(27)28)24(30)25-12-9-19(10-13-25)23(29)26-11-3-4-18(2)15-26/h5-8,18-20H,3-4,9-16H2,1-2H3
InChIKeyPIXVJASKCAQAAS-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.85
Rot. Bonds3

About 1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one

1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 17081750) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID17081750
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCC(C(=O)N4CCCC(C)C4)CC3)CC2=O)cc1
InChIInChI=1S/C24H33N3O3/c1-17-5-7-21(8-6-17)27-16-20(14-22(27)28)24(30)25-12-9-19(10-13-25)23(29)26-11-3-4-18(2)15-26/h5-8,18-20H,3-4,9-16H2,1-2H3
InChIKeyPIXVJASKCAQAAS-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146
(4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 9375191
(3S)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136562
(4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392063
(4S)-1-(3-chloro-4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351913
4-[4-(methylamino)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 119563164
1-(3-fluoro-4-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 42939807
(4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 41168133
(4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 9375187
(4R)-1-(2,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 26615613
ethyl (3S)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 1241715
N-(4-acetamidophenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964122

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 17081750) is 1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one is Cc1ccc(N2CC(C(=O)N3CCC(C(=O)N4CCCC(C)C4)CC3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is PIXVJASKCAQAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-17-5-7-21(8-6-17)27-16-20(14-22(27)28)24(30)25-12-9-19(10-13-25)23(29)26-11-3-4-18(2)15-26/h5-8,18-20H,3-4,9-16H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one?
1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 411.55 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 17081750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).