N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-piperidin-4-yltriazole-4-carboxamide

C15H19ClN6O2 — CID 119900688

IUPACN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCCOc1ncccc1Cl)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C15H19ClN6O2/c16-12-2-1-5-19-15(12)24-9-8-18-14(23)13-10-22(21-20-13)11-3-6-17-7-4-11/h1-2,5,10-11,17H,3-4,6-9H2,(H,18,23)
InChIKeyAZDFNBLDXMBAGY-UHFFFAOYSA-N
MW350.81 g/mol
LogP1.06
Rot. Bonds6

About N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119900688) has the molecular formula C15H19ClN6O2 and a molecular weight of 350.81 g/mol. Its IUPAC name is N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119900688
Molecular FormulaC15H19ClN6O2
Molecular Weight350.81 g/mol
Exact Mass350.13
IUPAC NameN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCCOc1ncccc1Cl)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C15H19ClN6O2/c16-12-2-1-5-19-15(12)24-9-8-18-14(23)13-10-22(21-20-13)11-3-6-17-7-4-11/h1-2,5,10-11,17H,3-4,6-9H2,(H,18,23)
InChIKeyAZDFNBLDXMBAGY-UHFFFAOYSA-N
XLogP1.06
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119900756
N-[2-(4-chlorophenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119690029
N-[2-(2,6-dimethylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119734919
1-piperidin-4-yl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole-4-carboxamide;hydrochloride
CID 119736753
N-[2-(3,5-dimethoxyphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822603
1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide
CID 63284386
1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 63283028
N-[3-(4-methylphenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119757238
1-(azetidin-3-yl)-N-(2-phenoxyethyl)triazole-4-carboxamide
CID 79319023
N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide
CID 113465689
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119900688) is N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-piperidin-4-yltriazole-4-carboxamide is O=C(NCCOc1ncccc1Cl)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is AZDFNBLDXMBAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O2/c16-12-2-1-5-19-15(12)24-9-8-18-14(23)13-10-22(21-20-13)11-3-6-17-7-4-11/h1-2,5,10-11,17H,3-4,6-9H2,(H,18,23).
What are the key properties of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 350.81 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119900688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).