1-(4-chlorophenyl)-4-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one

C25H31ClN6O2 — CID 122339739

IUPAC1-(4-chlorophenyl)-4-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cc(N2CCN(C(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C25H31ClN6O2/c1-18-15-22(28-25(27-18)31-9-3-2-4-10-31)29-11-13-30(14-12-29)24(34)19-16-23(33)32(17-19)21-7-5-20(26)6-8-21/h5-8,15,19H,2-4,9-14,16-17H2,1H3
InChIKeyOKESODQOPFPLKL-UHFFFAOYSA-N
MW483.02 g/mol
LogP3.13
Rot. Bonds4

About 1-(4-chlorophenyl)-4-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one

1-(4-chlorophenyl)-4-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 122339739) has the molecular formula C25H31ClN6O2 and a molecular weight of 483.02 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID122339739
Molecular FormulaC25H31ClN6O2
Molecular Weight483.02 g/mol
Exact Mass482.22
IUPAC Name1-(4-chlorophenyl)-4-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cc(N2CCN(C(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C25H31ClN6O2/c1-18-15-22(28-25(27-18)31-9-3-2-4-10-31)29-11-13-30(14-12-29)24(34)19-16-23(33)32(17-19)21-7-5-20(26)6-8-21/h5-8,15,19H,2-4,9-14,16-17H2,1H3
InChIKeyOKESODQOPFPLKL-UHFFFAOYSA-N
XLogP3.13
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.02
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-chlorophenyl)-4-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

4-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 122333770
cyclopentyl-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50944669
1-(4-methylphenyl)-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122334353
1-(4-chlorophenyl)-4-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122336093
1-(4-chlorophenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108809896
1-(4-chlorophenyl)-4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122334066
1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 17082146
4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclohexan-1-one
CID 122333101
4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one
CID 113189848
1-[4-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914873
4-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 122346600
1-(4-methoxyphenyl)-4-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122346363

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-4-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 122339739) is 1-(4-chlorophenyl)-4-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-4-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one is Cc1cc(N2CCN(C(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)CC2)nc(N2CCCCC2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is OKESODQOPFPLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN6O2/c1-18-15-22(28-25(27-18)31-9-3-2-4-10-31)29-11-13-30(14-12-29)24(34)19-16-23(33)32(17-19)21-7-5-20(26)6-8-21/h5-8,15,19H,2-4,9-14,16-17H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(4-chlorophenyl)-4-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 483.02 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 122339739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).