N-(4-phenoxy-3-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide

C19H20N6O2 — CID 119866030

IUPACN-(4-phenoxy-3-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(Nc1cnccc1Oc1ccccc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H20N6O2/c26-19(17-13-25(24-23-17)14-6-9-20-10-7-14)22-16-12-21-11-8-18(16)27-15-4-2-1-3-5-15/h1-5,8,11-14,20H,6-7,9-10H2,(H,22,26)
InChIKeyFHLLBOBCGUCECQ-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.64
Rot. Bonds5

About N-(4-phenoxy-3-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide

N-(4-phenoxy-3-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119866030) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(4-phenoxy-3-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-phenoxy-3-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119866030
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-(4-phenoxy-3-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(Nc1cnccc1Oc1ccccc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H20N6O2/c26-19(17-13-25(24-23-17)14-6-9-20-10-7-14)22-16-12-21-11-8-18(16)27-15-4-2-1-3-5-15/h1-5,8,11-14,20H,6-7,9-10H2,(H,22,26)
InChIKeyFHLLBOBCGUCECQ-UHFFFAOYSA-N
XLogP2.64
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-phenoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673234
N-[2-(2-chlorophenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119696321
1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide
CID 119867835
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984
N-(4-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 119866026
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-[1-(4-phenoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766161
N-[(3-phenoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119732509
N-(2-methoxy-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119740560
1-piperidin-4-yl-N-[4-(pyridin-3-ylcarbamoyl)phenyl]triazole-4-carboxamide
CID 119844777
N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119707837
N-[(6-phenoxy-3-pyridinyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119872250

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxy-3-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(4-phenoxy-3-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119866030) is N-(4-phenoxy-3-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(4-phenoxy-3-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(4-phenoxy-3-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide is O=C(Nc1cnccc1Oc1ccccc1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(4-phenoxy-3-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is FHLLBOBCGUCECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c26-19(17-13-25(24-23-17)14-6-9-20-10-7-14)22-16-12-21-11-8-18(16)27-15-4-2-1-3-5-15/h1-5,8,11-14,20H,6-7,9-10H2,(H,22,26).
What are the key properties of N-(4-phenoxy-3-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(4-phenoxy-3-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxy-3-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119866030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).