1-(4-methylphenyl)-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one

C24H32N4O2 — CID 90492909

IUPAC1-(4-methylphenyl)-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCC(Cn4ccnc4C(C)C)CC3)CC2=O)cc1
InChIInChI=1S/C24H32N4O2/c1-17(2)23-25-10-13-27(23)15-19-8-11-26(12-9-19)24(30)20-14-22(29)28(16-20)21-6-4-18(3)5-7-21/h4-7,10,13,17,19-20H,8-9,11-12,14-16H2,1-3H3
InChIKeyZXIHTFRFXAOOOD-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.61
Rot. Bonds5

About 1-(4-methylphenyl)-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one

1-(4-methylphenyl)-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 90492909) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID90492909
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name1-(4-methylphenyl)-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCC(Cn4ccnc4C(C)C)CC3)CC2=O)cc1
InChIInChI=1S/C24H32N4O2/c1-17(2)23-25-10-13-27(23)15-19-8-11-26(12-9-19)24(30)20-14-22(29)28(16-20)21-6-4-18(3)5-7-21/h4-7,10,13,17,19-20H,8-9,11-12,14-16H2,1-3H3
InChIKeyZXIHTFRFXAOOOD-UHFFFAOYSA-N
XLogP3.61
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylphenyl)-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

4-[4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 90493122
1-(3,4-dimethylphenyl)-4-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90492804
2-[1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]acetic acid
CID 119178799
5-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90493357
4-(4-benzylpiperidine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 2963137
(1-methylsulfonylpiperidin-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 56724041
1-(3-methoxyphenyl)-4-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90493015
4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 110023693
4-[4-(methylamino)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 119563164
(4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9242636
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 119638509
1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17081842

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-methylphenyl)-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 90492909) is 1-(4-methylphenyl)-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-methylphenyl)-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one is Cc1ccc(N2CC(C(=O)N3CCC(Cn4ccnc4C(C)C)CC3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is ZXIHTFRFXAOOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-17(2)23-25-10-13-27(23)15-19-8-11-26(12-9-19)24(30)20-14-22(29)28(16-20)21-6-4-18(3)5-7-21/h4-7,10,13,17,19-20H,8-9,11-12,14-16H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
1-(4-methylphenyl)-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 408.55 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 90492909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).