1-piperidin-4-yl-N-thiophen-3-yltriazole-4-carboxamide

C12H15N5OS — CID 66349997

IUPAC1-piperidin-4-yl-N-thiophen-3-yltriazole-4-carboxamide
SMILESO=C(Nc1ccsc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C12H15N5OS/c18-12(14-9-3-6-19-8-9)11-7-17(16-15-11)10-1-4-13-5-2-10/h3,6-8,10,13H,1-2,4-5H2,(H,14,18)
InChIKeyCKDSQAYRISEYBO-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.52
Rot. Bonds3

About 1-piperidin-4-yl-N-thiophen-3-yltriazole-4-carboxamide

1-piperidin-4-yl-N-thiophen-3-yltriazole-4-carboxamide (PubChem CID 66349997) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-thiophen-3-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-thiophen-3-yltriazole-4-carboxamide
PubChem CID66349997
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name1-piperidin-4-yl-N-thiophen-3-yltriazole-4-carboxamide
SMILESO=C(Nc1ccsc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C12H15N5OS/c18-12(14-9-3-6-19-8-9)11-7-17(16-15-11)10-1-4-13-5-2-10/h3,6-8,10,13H,1-2,4-5H2,(H,14,18)
InChIKeyCKDSQAYRISEYBO-UHFFFAOYSA-N
XLogP1.52
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-thiophen-3-yltriazole-4-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-thiophen-3-yltriazole-4-carboxamide (CID 66349997) is 1-piperidin-4-yl-N-thiophen-3-yltriazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-thiophen-3-yltriazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-thiophen-3-yltriazole-4-carboxamide is O=C(Nc1ccsc1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-thiophen-3-yltriazole-4-carboxamide?
The InChIKey is CKDSQAYRISEYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c18-12(14-9-3-6-19-8-9)11-7-17(16-15-11)10-1-4-13-5-2-10/h3,6-8,10,13H,1-2,4-5H2,(H,14,18).
What are the key properties of 1-piperidin-4-yl-N-thiophen-3-yltriazole-4-carboxamide?
1-piperidin-4-yl-N-thiophen-3-yltriazole-4-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-thiophen-3-yltriazole-4-carboxamide is sourced from PubChem (CID 66349997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).