N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C17H26ClN5OS — CID 119719868

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1cc(C(C)NC(=O)c2nnn(C3CCNCC3)c2C)c(C)s1.Cl
InChIInChI=1S/C17H25N5OS.ClH/c1-10-9-15(13(4)24-10)11(2)19-17(23)16-12(3)22(21-20-16)14-5-7-18-8-6-14;/h9,11,14,18H,5-8H2,1-4H3,(H,19,23);1H
InChIKeyZTQIAGVGPJKOQW-UHFFFAOYSA-N
MW383.95 g/mol
LogP3.10
Rot. Bonds4

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119719868) has the molecular formula C17H26ClN5OS and a molecular weight of 383.95 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119719868
Molecular FormulaC17H26ClN5OS
Molecular Weight383.95 g/mol
Exact Mass383.15
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1cc(C(C)NC(=O)c2nnn(C3CCNCC3)c2C)c(C)s1.Cl
InChIInChI=1S/C17H25N5OS.ClH/c1-10-9-15(13(4)24-10)11(2)19-17(23)16-12(3)22(21-20-16)14-5-7-18-8-6-14;/h9,11,14,18H,5-8H2,1-4H3,(H,19,23);1H
InChIKeyZTQIAGVGPJKOQW-UHFFFAOYSA-N
XLogP3.10
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.95
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119719868) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1cc(C(C)NC(=O)c2nnn(C3CCNCC3)c2C)c(C)s1.Cl.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is ZTQIAGVGPJKOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS.ClH/c1-10-9-15(13(4)24-10)11(2)19-17(23)16-12(3)22(21-20-16)14-5-7-18-8-6-14;/h9,11,14,18H,5-8H2,1-4H3,(H,19,23);1H.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 383.95 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119719868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).