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

C25H32N4O2 — CID 141370798

IUPAC3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4,4-dimethylpyrrolidin-2-one
SMILESCc1cnc(N2CCN(C(=O)c3ccc(C4C(=O)NCC4(C)C)cc3C)CC2)c(C)c1
InChIInChI=1S/C25H32N4O2/c1-16-12-18(3)22(26-14-16)28-8-10-29(11-9-28)24(31)20-7-6-19(13-17(20)2)21-23(30)27-15-25(21,4)5/h6-7,12-14,21H,8-11,15H2,1-5H3,(H,27,30)
InChIKeyCKXILYJPDJAQTD-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.21
Rot. Bonds3

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

3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4,4-dimethylpyrrolidin-2-one (PubChem CID 141370798) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4,4-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4,4-dimethylpyrrolidin-2-one
PubChem CID141370798
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4,4-dimethylpyrrolidin-2-one
SMILESCc1cnc(N2CCN(C(=O)c3ccc(C4C(=O)NCC4(C)C)cc3C)CC2)c(C)c1
InChIInChI=1S/C25H32N4O2/c1-16-12-18(3)22(26-14-16)28-8-10-29(11-9-28)24(31)20-7-6-19(13-17(20)2)21-23(30)27-15-25(21,4)5/h6-7,12-14,21H,8-11,15H2,1-5H3,(H,27,30)
InChIKeyCKXILYJPDJAQTD-UHFFFAOYSA-N
XLogP3.21
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

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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
(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethylpyrrolidin-2-one
CID 141370707
(5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-2-hydroxy-5-methylimidazolidin-4-one
CID 138464573
1-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 141370999
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 141265306
(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one
CID 141370606
1-acetyl-3-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 141370633
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methylimidazolidine-2,4-dione
CID 71252581
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(6-fluoro-4-methyl-3-pyridinyl)methanone
CID 71252935
(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
(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-(methoxymethyl)pyrrolidin-2-one
CID 141370717
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-hydroxy-3,5-dimethylimidazol-2-one
CID 123782642

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4,4-dimethylpyrrolidin-2-one?
The IUPAC name of 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4,4-dimethylpyrrolidin-2-one (CID 141370798) is 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4,4-dimethylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4,4-dimethylpyrrolidin-2-one?
The canonical SMILES for 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4,4-dimethylpyrrolidin-2-one is Cc1cnc(N2CCN(C(=O)c3ccc(C4C(=O)NCC4(C)C)cc3C)CC2)c(C)c1.
What is the InChIKey of 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4,4-dimethylpyrrolidin-2-one?
The InChIKey is CKXILYJPDJAQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-16-12-18(3)22(26-14-16)28-8-10-29(11-9-28)24(31)20-7-6-19(13-17(20)2)21-23(30)27-15-25(21,4)5/h6-7,12-14,21H,8-11,15H2,1-5H3,(H,27,30).
What are the key properties of 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4,4-dimethylpyrrolidin-2-one?
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4,4-dimethylpyrrolidin-2-one has a molecular weight of 420.56 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 141370798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).