N-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide

C16H20ClN5O — CID 119688217

IUPACN-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C16H20ClN5O/c17-13-3-1-2-12(10-13)4-9-19-16(23)15-11-22(21-20-15)14-5-7-18-8-6-14/h1-3,10-11,14,18H,4-9H2,(H,19,23)
InChIKeyKCSFZHMCBNGEDT-UHFFFAOYSA-N
MW333.82 g/mol
LogP1.83
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119688217) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119688217
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C16H20ClN5O/c17-13-3-1-2-12(10-13)4-9-19-16(23)15-11-22(21-20-15)14-5-7-18-8-6-14/h1-3,10-11,14,18H,4-9H2,(H,19,23)
InChIKeyKCSFZHMCBNGEDT-UHFFFAOYSA-N
XLogP1.83
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513
1-(azetidin-3-yl)-N-[2-(3-fluorophenyl)ethyl]triazole-4-carboxamide
CID 79320078
1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 63283028
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
N-(4-phenylmethoxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119763497
1-piperidin-4-yl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]triazole-4-carboxamide
CID 119721502
N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 106235634
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-[2-(4-chlorophenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119690029
N-[2-[benzyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119862234
N-[2-(3-chlorophenyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119773561
N-[3-[benzyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119835652

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119688217) is N-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide is O=C(NCCc1cccc(Cl)c1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is KCSFZHMCBNGEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c17-13-3-1-2-12(10-13)4-9-19-16(23)15-11-22(21-20-15)14-5-7-18-8-6-14/h1-3,10-11,14,18H,4-9H2,(H,19,23).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119688217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).