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

C22H28N4O2 — CID 90493122

IUPAC4-[4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCC(Cn4ccnc4C)CC3)CC2=O)cc1
InChIInChI=1S/C22H28N4O2/c1-16-3-5-20(6-4-16)26-15-19(13-21(26)27)22(28)24-10-7-18(8-11-24)14-25-12-9-23-17(25)2/h3-6,9,12,18-19H,7-8,10-11,13-15H2,1-2H3
InChIKeyWSPMHDADHAKKEQ-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.79
Rot. Bonds4

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

4-[4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 90493122) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-[4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID90493122
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name4-[4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCC(Cn4ccnc4C)CC3)CC2=O)cc1
InChIInChI=1S/C22H28N4O2/c1-16-3-5-20(6-4-16)26-15-19(13-21(26)27)22(28)24-10-7-18(8-11-24)14-25-12-9-23-17(25)2/h3-6,9,12,18-19H,7-8,10-11,13-15H2,1-2H3
InChIKeyWSPMHDADHAKKEQ-UHFFFAOYSA-N
XLogP2.79
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90492909
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
4-(4-benzylpiperidine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 2963137
1-(3-methoxyphenyl)-4-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90493015
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
1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,2,4-triazol-4-yl)piperidine-4-carboxamide
CID 9375058
(4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 9375191
(4R)-1-ethyl-4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 97147763
1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 17081750
1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 90493104

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one (CID 90493122) is 4-[4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2CC(C(=O)N3CCC(Cn4ccnc4C)CC3)CC2=O)cc1.
What is the InChIKey of 4-[4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is WSPMHDADHAKKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16-3-5-20(6-4-16)26-15-19(13-21(26)27)22(28)24-10-7-18(8-11-24)14-25-12-9-23-17(25)2/h3-6,9,12,18-19H,7-8,10-11,13-15H2,1-2H3.
What are the key properties of 4-[4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one?
4-[4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 380.49 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 90493122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).