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

C25H32N4O2 — CID 141370707

IUPAC(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethylpyrrolidin-2-one
SMILESCCC1CNC(=O)[C@H]1c1ccc(C(=O)N2CCN(c3ncc(C)cc3C)CC2)c(C)c1
InChIInChI=1S/C25H32N4O2/c1-5-19-15-27-24(30)22(19)20-6-7-21(17(3)13-20)25(31)29-10-8-28(9-11-29)23-18(4)12-16(2)14-26-23/h6-7,12-14,19,22H,5,8-11,15H2,1-4H3,(H,27,30)/t19?,22-/m1/s1
InChIKeyFKTKFECNHXIARR-AVKWCDSFSA-N
MW420.56 g/mol
LogP3.21
Rot. Bonds4

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

(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethylpyrrolidin-2-one (PubChem CID 141370707) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is (3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethylpyrrolidin-2-one
PubChem CID141370707
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethylpyrrolidin-2-one
SMILESCCC1CNC(=O)[C@H]1c1ccc(C(=O)N2CCN(c3ncc(C)cc3C)CC2)c(C)c1
InChIInChI=1S/C25H32N4O2/c1-5-19-15-27-24(30)22(19)20-6-7-21(17(3)13-20)25(31)29-10-8-28(9-11-29)23-18(4)12-16(2)14-26-23/h6-7,12-14,19,22H,5,8-11,15H2,1-4H3,(H,27,30)/t19?,22-/m1/s1
InChIKeyFKTKFECNHXIARR-AVKWCDSFSA-N
XLogP3.21
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-(methoxymethyl)pyrrolidin-2-one
CID 141370717
(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one
CID 141370606
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4,4-dimethylpyrrolidin-2-one
CID 141370798
1-acetyl-3-[2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-[(3R)-4-methyl-2-oxopyrrolidin-3-yl]phenyl]imidazolidin-2-one
CID 141370817
(3R)-3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one
CID 141370594
(3R)-3-[4-[4-(3-ethyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one
CID 141370941
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 141265306
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride
CID 67381318
(5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-2-hydroxy-5-methylimidazolidin-4-one
CID 138464573
(3R)-3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-propan-2-ylpyrrolidin-2-one
CID 141370659
(3R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one;hydrochloride
CID 141370811
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5,5-dimethylpyrrolidin-2-one
CID 141370646

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethylpyrrolidin-2-one?
The IUPAC name of (3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethylpyrrolidin-2-one (CID 141370707) is (3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethylpyrrolidin-2-one is CCC1CNC(=O)[C@H]1c1ccc(C(=O)N2CCN(c3ncc(C)cc3C)CC2)c(C)c1.
What is the InChIKey of (3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethylpyrrolidin-2-one?
The InChIKey is FKTKFECNHXIARR-AVKWCDSFSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-5-19-15-27-24(30)22(19)20-6-7-21(17(3)13-20)25(31)29-10-8-28(9-11-29)23-18(4)12-16(2)14-26-23/h6-7,12-14,19,22H,5,8-11,15H2,1-4H3,(H,27,30)/t19?,22-/m1/s1.
What are the key properties of (3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethylpyrrolidin-2-one?
(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethylpyrrolidin-2-one has a molecular weight of 420.56 g/mol, XLogP of 3.21, 4 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]-3-methylphenyl]-4-ethylpyrrolidin-2-one is sourced from PubChem (CID 141370707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).