1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

C21H25N5O2 — CID 113186142

IUPAC1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCN(c4ncccn4)CC3)CC2=O)cc1C
InChIInChI=1S/C21H25N5O2/c1-15-4-5-18(12-16(15)2)26-14-17(13-19(26)27)20(28)24-8-10-25(11-9-24)21-22-6-3-7-23-21/h3-7,12,17H,8-11,13-14H2,1-2H3
InChIKeyVDONXAAOHQVPNF-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.80
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 113186142) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID113186142
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCN(c4ncccn4)CC3)CC2=O)cc1C
InChIInChI=1S/C21H25N5O2/c1-15-4-5-18(12-16(15)2)26-14-17(13-19(26)27)20(28)24-8-10-25(11-9-24)21-22-6-3-7-23-21/h3-7,12,17H,8-11,13-14H2,1-2H3
InChIKeyVDONXAAOHQVPNF-UHFFFAOYSA-N
XLogP1.80
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9242636
1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6461557
4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121190934
1-(3,4-dimethylphenyl)-4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90516679
4-(4-cyclopropylidenepiperidine-1-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121186906
1-(3,4-dimethylphenyl)-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 71798630
1-(3,4-dimethylphenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 17082382
1-(3,4-dimethylphenyl)-4-[4-(6-methoxypyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 16883409
(4R)-1-(3,4-dimethylphenyl)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392799
1-(3,4-dimethylphenyl)-4-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122332252
1-(3,4-dimethylphenyl)-4-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90539444
4-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 122345384

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 113186142) is 1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is Cc1ccc(N2CC(C(=O)N3CCN(c4ncccn4)CC3)CC2=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is VDONXAAOHQVPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15-4-5-18(12-16(15)2)26-14-17(13-19(26)27)20(28)24-8-10-25(11-9-24)21-22-6-3-7-23-21/h3-7,12,17H,8-11,13-14H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 379.46 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 113186142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).