(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-5-methylpyrrolidin-2-one

C24H30N4O2 — CID 141370907

IUPAC(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-5-methylpyrrolidin-2-one
SMILESCc1cnc(N2CCN(C(=O)c3ccc([C@H]4CC(C)NC4=O)c(C)c3)CC2)c(C)c1
InChIInChI=1S/C24H30N4O2/c1-15-11-17(3)22(25-14-15)27-7-9-28(10-8-27)24(30)19-5-6-20(16(2)12-19)21-13-18(4)26-23(21)29/h5-6,11-12,14,18,21H,7-10,13H2,1-4H3,(H,26,29)/t18?,21-/m1/s1
InChIKeyQGNSLPFHHQUUPE-BDPMCISCSA-N
MW406.53 g/mol
LogP2.96
Rot. Bonds3

About (3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-5-methylpyrrolidin-2-one

(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-5-methylpyrrolidin-2-one (PubChem CID 141370907) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is (3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-5-methylpyrrolidin-2-one
PubChem CID141370907
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-5-methylpyrrolidin-2-one
SMILESCc1cnc(N2CCN(C(=O)c3ccc([C@H]4CC(C)NC4=O)c(C)c3)CC2)c(C)c1
InChIInChI=1S/C24H30N4O2/c1-15-11-17(3)22(25-14-15)27-7-9-28(10-8-27)24(30)19-5-6-20(16(2)12-19)21-13-18(4)26-23(21)29/h5-6,11-12,14,18,21H,7-10,13H2,1-4H3,(H,26,29)/t18?,21-/m1/s1
InChIKeyQGNSLPFHHQUUPE-BDPMCISCSA-N
XLogP2.96
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-5-methylpyrrolidin-2-one with MolForge

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Related Compounds

3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5,5-dimethylpyrrolidin-2-one
CID 141370646
(4S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67381184
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-methylimidazolidine-2,4-dione
CID 71252985
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67381449
(3S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione;(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione
CID 158249149
(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methoxyphenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67380763
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67381251
(4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methyl-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
CID 58484827
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 134494465
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-(1,2-thiazolidin-2-ylmethyl)phenyl]methanone
CID 71262917
(5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-2-hydroxy-5-methylimidazolidin-4-one
CID 138464573
5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-methylimidazolidine-2,4-dione
CID 134494483

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-5-methylpyrrolidin-2-one?
The IUPAC name of (3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-5-methylpyrrolidin-2-one (CID 141370907) is (3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-5-methylpyrrolidin-2-one is Cc1cnc(N2CCN(C(=O)c3ccc([C@H]4CC(C)NC4=O)c(C)c3)CC2)c(C)c1.
What is the InChIKey of (3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-5-methylpyrrolidin-2-one?
The InChIKey is QGNSLPFHHQUUPE-BDPMCISCSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-15-11-17(3)22(25-14-15)27-7-9-28(10-8-27)24(30)19-5-6-20(16(2)12-19)21-13-18(4)26-23(21)29/h5-6,11-12,14,18,21H,7-10,13H2,1-4H3,(H,26,29)/t18?,21-/m1/s1.
What are the key properties of (3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-5-methylpyrrolidin-2-one?
(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-5-methylpyrrolidin-2-one has a molecular weight of 406.53 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 141370907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).