N-(2-phenylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C17H24ClN5OS — CID 119804407

IUPACN-(2-phenylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(CNC(=O)c1cn(C2CCNCC2)nn1)Sc1ccccc1.Cl
InChIInChI=1S/C17H23N5OS.ClH/c1-13(24-15-5-3-2-4-6-15)11-19-17(23)16-12-22(21-20-16)14-7-9-18-10-8-14;/h2-6,12-14,18H,7-11H2,1H3,(H,19,23);1H
InChIKeyJLYCBAHZXWREGJ-UHFFFAOYSA-N
MW381.93 g/mol
LogP2.54
Rot. Bonds6

About N-(2-phenylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(2-phenylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119804407) has the molecular formula C17H24ClN5OS and a molecular weight of 381.93 g/mol. Its IUPAC name is N-(2-phenylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-phenylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119804407
Molecular FormulaC17H24ClN5OS
Molecular Weight381.93 g/mol
Exact Mass381.14
IUPAC NameN-(2-phenylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(CNC(=O)c1cn(C2CCNCC2)nn1)Sc1ccccc1.Cl
InChIInChI=1S/C17H23N5OS.ClH/c1-13(24-15-5-3-2-4-6-15)11-19-17(23)16-12-22(21-20-16)14-7-9-18-10-8-14;/h2-6,12-14,18H,7-11H2,1H3,(H,19,23);1H
InChIKeyJLYCBAHZXWREGJ-UHFFFAOYSA-N
XLogP2.54
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
ethyl 2-phenyl-3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]propanoate;hydrochloride
CID 119805449
N-[2-(2-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119804852
N-[2-(4-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119804464
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
N-(2-morpholin-4-yl-2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119853215
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716613
N-(3-methyl-2-pyridin-3-ylbutyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119899969
N-[2-(4-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119866548
N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119790461
N-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119793062
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119716614

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-phenylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119804407) is N-(2-phenylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-phenylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-phenylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CC(CNC(=O)c1cn(C2CCNCC2)nn1)Sc1ccccc1.Cl.
What is the InChIKey of N-(2-phenylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is JLYCBAHZXWREGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS.ClH/c1-13(24-15-5-3-2-4-6-15)11-19-17(23)16-12-22(21-20-16)14-7-9-18-10-8-14;/h2-6,12-14,18H,7-11H2,1H3,(H,19,23);1H.
What are the key properties of N-(2-phenylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(2-phenylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 381.93 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119804407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).