3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one

C23H28N4O2 — CID 141265346

IUPAC3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESCCc1cnc(N2CCN(C(=O)c3ccc(C4CCNC4=O)cc3)CC2)c(C)c1
InChIInChI=1S/C23H28N4O2/c1-3-17-14-16(2)21(25-15-17)26-10-12-27(13-11-26)23(29)19-6-4-18(5-7-19)20-8-9-24-22(20)28/h4-7,14-15,20H,3,8-13H2,1-2H3,(H,24,28)
InChIKeyCVNWRWQDLMBPCX-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.52
Rot. Bonds4

About 3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one

3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 141265346) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
PubChem CID141265346
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESCCc1cnc(N2CCN(C(=O)c3ccc(C4CCNC4=O)cc3)CC2)c(C)c1
InChIInChI=1S/C23H28N4O2/c1-3-17-14-16(2)21(25-15-17)26-10-12-27(13-11-26)23(29)19-6-4-18(5-7-19)20-8-9-24-22(20)28/h4-7,14-15,20H,3,8-13H2,1-2H3,(H,24,28)
InChIKeyCVNWRWQDLMBPCX-UHFFFAOYSA-N
XLogP2.52
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one
CID 141370863
3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one;hydrochloride
CID 141370862
(3R)-3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one
CID 141370594
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5,5-dimethylpyrrolidin-2-one
CID 141370646
3-[4-[4-(2-cyclopropyl-4-methylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 141370639
1-[5-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5,5-trimethylimidazolidine-2,4-dione
CID 71252832
(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-(3-ethyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one
CID 141370941
(3R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one;hydrochloride
CID 141370811
(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-5-methylpyrrolidin-2-one
CID 141370907
(3R)-4-methyl-3-[4-[4-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one;hydrochloride
CID 141370952
3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]pyrrolidin-2-one
CID 141265371

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one (CID 141265346) is 3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one is CCc1cnc(N2CCN(C(=O)c3ccc(C4CCNC4=O)cc3)CC2)c(C)c1.
What is the InChIKey of 3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The InChIKey is CVNWRWQDLMBPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-3-17-14-16(2)21(25-15-17)26-10-12-27(13-11-26)23(29)19-6-4-18(5-7-19)20-8-9-24-22(20)28/h4-7,14-15,20H,3,8-13H2,1-2H3,(H,24,28).
What are the key properties of 3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 392.50 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 141265346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).