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

C23H28ClN5O2 — CID 38711670

IUPAC(4R)-1-(2-chlorophenyl)-4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)CC2)nc(C(C)C)n1
InChIInChI=1S/C23H28ClN5O2/c1-15(2)22-25-16(3)12-20(26-22)27-8-10-28(11-9-27)23(31)17-13-21(30)29(14-17)19-7-5-4-6-18(19)24/h4-7,12,15,17H,8-11,13-14H2,1-3H3/t17-/m1/s1
InChIKeyVKDIHOGBRJTHGJ-QGZVFWFLSA-N
MW441.96 g/mol
LogP3.26
Rot. Bonds4

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

(4R)-1-(2-chlorophenyl)-4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 38711670) has the molecular formula C23H28ClN5O2 and a molecular weight of 441.96 g/mol. Its IUPAC name is (4R)-1-(2-chlorophenyl)-4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(2-chlorophenyl)-4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID38711670
Molecular FormulaC23H28ClN5O2
Molecular Weight441.96 g/mol
Exact Mass441.19
IUPAC Name(4R)-1-(2-chlorophenyl)-4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)CC2)nc(C(C)C)n1
InChIInChI=1S/C23H28ClN5O2/c1-15(2)22-25-16(3)12-20(26-22)27-8-10-28(11-9-27)23(31)17-13-21(30)29(14-17)19-7-5-4-6-18(19)24/h4-7,12,15,17H,8-11,13-14H2,1-3H3/t17-/m1/s1
InChIKeyVKDIHOGBRJTHGJ-QGZVFWFLSA-N
XLogP3.26
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one
CID 112826872
1-(2-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 84504102
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 46557552
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 55604907
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 55345738
[1-(benzenesulfonyl)piperidin-4-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 26953676
4-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 122333770
1-(4-chlorophenyl)-4-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122339739
(3S)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 34307806
1-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 32978569
1-(2-chlorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 112767128
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37071019

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-chlorophenyl)-4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(2-chlorophenyl)-4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 38711670) is (4R)-1-(2-chlorophenyl)-4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(2-chlorophenyl)-4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(2-chlorophenyl)-4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one is Cc1cc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)CC2)nc(C(C)C)n1.
What is the InChIKey of (4R)-1-(2-chlorophenyl)-4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is VKDIHOGBRJTHGJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28ClN5O2/c1-15(2)22-25-16(3)12-20(26-22)27-8-10-28(11-9-27)23(31)17-13-21(30)29(14-17)19-7-5-4-6-18(19)24/h4-7,12,15,17H,8-11,13-14H2,1-3H3/t17-/m1/s1.
What are the key properties of (4R)-1-(2-chlorophenyl)-4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(2-chlorophenyl)-4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 441.96 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-chlorophenyl)-4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 38711670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).