[4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone

C17H17N5OS — CID 29000933

IUPAC[4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(n2cc(-c3ccncc3)nn2)CC1
InChIInChI=1S/C17H17N5OS/c23-17(16-2-1-11-24-16)21-9-5-14(6-10-21)22-12-15(19-20-22)13-3-7-18-8-4-13/h1-4,7-8,11-12,14H,5-6,9-10H2
InChIKeyPXLRIZFLZYARES-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.88
Rot. Bonds3

About [4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone

[4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 29000933) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is [4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID29000933
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name[4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(n2cc(-c3ccncc3)nn2)CC1
InChIInChI=1S/C17H17N5OS/c23-17(16-2-1-11-24-16)21-9-5-14(6-10-21)22-12-15(19-20-22)13-3-7-18-8-4-13/h1-4,7-8,11-12,14H,5-6,9-10H2
InChIKeyPXLRIZFLZYARES-UHFFFAOYSA-N
XLogP2.88
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 29150845
(4-imidazol-1-ylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 136579926
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 86264897
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 46954753
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 62947421
N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150130
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642

Frequently Asked Questions

What is the IUPAC name of [4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 29000933) is [4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(n2cc(-c3ccncc3)nn2)CC1.
What is the InChIKey of [4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is PXLRIZFLZYARES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c23-17(16-2-1-11-24-16)21-9-5-14(6-10-21)22-12-15(19-20-22)13-3-7-18-8-4-13/h1-4,7-8,11-12,14H,5-6,9-10H2.
What are the key properties of [4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
[4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 339.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 29000933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).