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

C15H21Cl2N5OS — CID 119735840

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCc2ccc(Cl)s2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C15H20ClN5OS.ClH/c1-10-14(19-20-21(10)11-4-7-17-8-5-11)15(22)18-9-6-12-2-3-13(16)23-12;/h2-3,11,17H,4-9H2,1H3,(H,18,22);1H
InChIKeyKFVSEQJWYFYZFR-UHFFFAOYSA-N
MW390.34 g/mol
LogP2.62
Rot. Bonds5

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

N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119735840) has the molecular formula C15H21Cl2N5OS and a molecular weight of 390.34 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119735840
Molecular FormulaC15H21Cl2N5OS
Molecular Weight390.34 g/mol
Exact Mass389.08
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCc2ccc(Cl)s2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C15H20ClN5OS.ClH/c1-10-14(19-20-21(10)11-4-7-17-8-5-11)15(22)18-9-6-12-2-3-13(16)23-12;/h2-3,11,17H,4-9H2,1H3,(H,18,22);1H
InChIKeyKFVSEQJWYFYZFR-UHFFFAOYSA-N
XLogP2.62
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
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CID 126792948
5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
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N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119869509
N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
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5-methyl-N-(2-phenylsulfanylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119691404
N-[2-(3,5-dimethylphenoxy)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119746736
N-[2-(1-adamantyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119679465
N-[2-(3,5-dimethoxyphenoxy)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119735840) is N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NCCc2ccc(Cl)s2)nnn1C1CCNCC1.Cl.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is KFVSEQJWYFYZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5OS.ClH/c1-10-14(19-20-21(10)11-4-7-17-8-5-11)15(22)18-9-6-12-2-3-13(16)23-12;/h2-3,11,17H,4-9H2,1H3,(H,18,22);1H.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 390.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119735840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).