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

C28H35N5O3 — CID 71252131

IUPAC1-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESCCc1cnc(N2CCN(C(=O)c3ccc(N4CCCC4=O)cc3C(=O)N3CCCC3)CC2)c(C)c1
InChIInChI=1S/C28H35N5O3/c1-3-21-17-20(2)26(29-19-21)30-13-15-32(16-14-30)27(35)23-9-8-22(33-12-6-7-25(33)34)18-24(23)28(36)31-10-4-5-11-31/h8-9,17-19H,3-7,10-16H2,1-2H3
InChIKeyCULFRYOIAUPXIL-UHFFFAOYSA-N
MW489.62 g/mol
LogP3.28
Rot. Bonds5

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

1-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one (PubChem CID 71252131) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is 1-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one
PubChem CID71252131
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC Name1-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESCCc1cnc(N2CCN(C(=O)c3ccc(N4CCCC4=O)cc3C(=O)N3CCCC3)CC2)c(C)c1
InChIInChI=1S/C28H35N5O3/c1-3-21-17-20(2)26(29-19-21)30-13-15-32(16-14-30)27(35)23-9-8-22(33-12-6-7-25(33)34)18-24(23)28(36)31-10-4-5-11-31/h8-9,17-19H,3-7,10-16H2,1-2H3
InChIKeyCULFRYOIAUPXIL-UHFFFAOYSA-N
XLogP3.28
TPSA77.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(piperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 71252878
2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)benzamide
CID 71252968
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(pyrrolidine-1-carbonyl)phenyl]-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 71252388
2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 71252390
3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 58484633
2-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile
CID 71252040
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(morpholine-4-carbonyl)phenyl]-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 71252746
1-acetyl-3-[2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)phenyl]imidazolidin-2-one
CID 71252650
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(2-oxopyrrolidin-1-yl)phenyl]-5-methylpyrrolidine-2-carbaldehyde
CID 174672923
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]piperidin-2-one
CID 71252543
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(piperidine-1-carbonyl)phenyl]methanone
CID 71252425
(4R)-3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-ethyl-1,3-oxazolidin-2-one
CID 58484670

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one (CID 71252131) is 1-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one is CCc1cnc(N2CCN(C(=O)c3ccc(N4CCCC4=O)cc3C(=O)N3CCCC3)CC2)c(C)c1.
What is the InChIKey of 1-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one?
The InChIKey is CULFRYOIAUPXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-3-21-17-20(2)26(29-19-21)30-13-15-32(16-14-30)27(35)23-9-8-22(33-12-6-7-25(33)34)18-24(23)28(36)31-10-4-5-11-31/h8-9,17-19H,3-7,10-16H2,1-2H3.
What are the key properties of 1-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one?
1-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one has a molecular weight of 489.62 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 71252131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).