N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide

C14H18ClN5OS — CID 119688580

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H18ClN5OS/c1-19(8-11-2-3-13(15)22-11)14(21)12-9-20(18-17-12)10-4-6-16-7-5-10/h2-3,9-10,16H,4-8H2,1H3
InChIKeyYYCUGDXMCHZPEH-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.19
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119688580) has the molecular formula C14H18ClN5OS and a molecular weight of 339.85 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119688580
Molecular FormulaC14H18ClN5OS
Molecular Weight339.85 g/mol
Exact Mass339.09
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H18ClN5OS/c1-19(8-11-2-3-13(15)22-11)14(21)12-9-20(18-17-12)10-4-6-16-7-5-10/h2-3,9-10,16H,4-8H2,1H3
InChIKeyYYCUGDXMCHZPEH-UHFFFAOYSA-N
XLogP2.19
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119688580) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide is CN(Cc1ccc(Cl)s1)C(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is YYCUGDXMCHZPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5OS/c1-19(8-11-2-3-13(15)22-11)14(21)12-9-20(18-17-12)10-4-6-16-7-5-10/h2-3,9-10,16H,4-8H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 339.85 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119688580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).