1-[3-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one

C25H27N5O2S — CID 24500099

IUPAC1-[3-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one
SMILESO=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C25H27N5O2S/c31-22(19-9-7-12-21(17-19)29-16-8-13-23(29)32)18-33-25-27-26-24(28-14-5-2-6-15-28)30(25)20-10-3-1-4-11-20/h1,3-4,7,9-12,17H,2,5-6,8,13-16,18H2
InChIKeyFZKAPJDFUVEHDF-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.36
Rot. Bonds7

About 1-[3-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one

1-[3-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one (PubChem CID 24500099) has the molecular formula C25H27N5O2S and a molecular weight of 461.59 g/mol. Its IUPAC name is 1-[3-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one
PubChem CID24500099
Molecular FormulaC25H27N5O2S
Molecular Weight461.59 g/mol
Exact Mass461.19
IUPAC Name1-[3-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one
SMILESO=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C25H27N5O2S/c31-22(19-9-7-12-21(17-19)29-16-8-13-23(29)32)18-33-25-27-26-24(28-14-5-2-6-15-28)30(25)20-10-3-1-4-11-20/h1,3-4,7,9-12,17H,2,5-6,8,13-16,18H2
InChIKeyFZKAPJDFUVEHDF-UHFFFAOYSA-N
XLogP4.36
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
2-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone
CID 15879978
N-methyl-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 51210182
N-tert-butyl-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17445320
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CID 60598365
1-[3-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]phenyl]pyrrolidin-2-one
CID 24500326
N-(2,6-dichlorophenyl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 27778728
1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one
CID 70316561
1-(1,3-benzodioxol-5-yl)-2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 17401350
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 40585550
1-[3-[2-(1-adamantylsulfanyl)acetyl]phenyl]pyrrolidin-2-one
CID 8513753
1-(3-bromophenyl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol
CID 112814976

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one (CID 24500099) is 1-[3-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one is O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-[3-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one?
The InChIKey is FZKAPJDFUVEHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2S/c31-22(19-9-7-12-21(17-19)29-16-8-13-23(29)32)18-33-25-27-26-24(28-14-5-2-6-15-28)30(25)20-10-3-1-4-11-20/h1,3-4,7,9-12,17H,2,5-6,8,13-16,18H2.
What are the key properties of 1-[3-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one?
1-[3-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one has a molecular weight of 461.59 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 24500099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).