N-thiophen-2-yl-4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidine-1-carboxamide

C17H19N5OS2 — CID 28642205

IUPACN-thiophen-2-yl-4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCC(Cn2cc(-c3ccsc3)nn2)CC1
InChIInChI=1S/C17H19N5OS2/c23-17(18-16-2-1-8-25-16)21-6-3-13(4-7-21)10-22-11-15(19-20-22)14-5-9-24-12-14/h1-2,5,8-9,11-13H,3-4,6-7,10H2,(H,18,23)
InChIKeyCYEIERVGKHKQAX-UHFFFAOYSA-N
MW373.51 g/mol
LogP4.01
Rot. Bonds4

About N-thiophen-2-yl-4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidine-1-carboxamide

N-thiophen-2-yl-4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 28642205) has the molecular formula C17H19N5OS2 and a molecular weight of 373.51 g/mol. Its IUPAC name is N-thiophen-2-yl-4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-thiophen-2-yl-4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidine-1-carboxamide
PubChem CID28642205
Molecular FormulaC17H19N5OS2
Molecular Weight373.51 g/mol
Exact Mass373.10
IUPAC NameN-thiophen-2-yl-4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCC(Cn2cc(-c3ccsc3)nn2)CC1
InChIInChI=1S/C17H19N5OS2/c23-17(18-16-2-1-8-25-16)21-6-3-13(4-7-21)10-22-11-15(19-20-22)14-5-9-24-12-14/h1-2,5,8-9,11-13H,3-4,6-7,10H2,(H,18,23)
InChIKeyCYEIERVGKHKQAX-UHFFFAOYSA-N
XLogP4.01
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-thiophen-2-yl-4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-thiophen-2-yl-4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidine-1-carboxamide (CID 28642205) is N-thiophen-2-yl-4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-thiophen-2-yl-4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-thiophen-2-yl-4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidine-1-carboxamide is O=C(Nc1cccs1)N1CCC(Cn2cc(-c3ccsc3)nn2)CC1.
What is the InChIKey of N-thiophen-2-yl-4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is CYEIERVGKHKQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS2/c23-17(18-16-2-1-8-25-16)21-6-3-13(4-7-21)10-22-11-15(19-20-22)14-5-9-24-12-14/h1-2,5,8-9,11-13H,3-4,6-7,10H2,(H,18,23).
What are the key properties of N-thiophen-2-yl-4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidine-1-carboxamide?
N-thiophen-2-yl-4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 373.51 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-thiophen-2-yl-4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 28642205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).