4-thiophen-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one

C19H22N4OS — CID 31742818

IUPAC4-thiophen-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one
SMILESO=C(CCCc1cccs1)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C19H22N4OS/c24-18(8-3-5-16-6-4-14-25-16)22-12-9-15(10-13-22)19-21-20-17-7-1-2-11-23(17)19/h1-2,4,6-7,11,14-15H,3,5,8-10,12-13H2
InChIKeyQRFYTPZTPXOGCH-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.52
Rot. Bonds5

About 4-thiophen-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one

4-thiophen-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one (PubChem CID 31742818) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-thiophen-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-thiophen-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one
PubChem CID31742818
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name4-thiophen-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one
SMILESO=C(CCCc1cccs1)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C19H22N4OS/c24-18(8-3-5-16-6-4-14-25-16)22-12-9-15(10-13-22)19-21-20-17-7-1-2-11-23(17)19/h1-2,4,6-7,11,14-15H,3,5,8-10,12-13H2
InChIKeyQRFYTPZTPXOGCH-UHFFFAOYSA-N
XLogP3.52
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-pyrrol-1-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]hexan-1-one
CID 127254735
3-(2-methylpyrazol-3-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 118790726
2-[4-oxo-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione
CID 46613632
(3-methylthiophen-2-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 46524423
1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 43416005
4-pyrrol-1-yl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 128963578
1-[4-(2-phenylethyl)piperidin-1-yl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 78842000
2-(1-hydroxycyclohexyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 111331645
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 113268887
4-(2,5-dimethylpyrrol-1-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 121238837
[(2R)-oxolan-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35896294
1-(4-pyrrol-1-ylpiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 110721301

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-thiophen-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one (CID 31742818) is 4-thiophen-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-thiophen-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-thiophen-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one is O=C(CCCc1cccs1)N1CCC(c2nnc3ccccn23)CC1.
What is the InChIKey of 4-thiophen-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one?
The InChIKey is QRFYTPZTPXOGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c24-18(8-3-5-16-6-4-14-25-16)22-12-9-15(10-13-22)19-21-20-17-7-1-2-11-23(17)19/h1-2,4,6-7,11,14-15H,3,5,8-10,12-13H2.
What are the key properties of 4-thiophen-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one?
4-thiophen-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one has a molecular weight of 354.48 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 31742818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).