1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide

C19H20N6O2 — CID 119867835

IUPAC1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccncc2)cc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H20N6O2/c26-19(18-13-25(24-23-18)15-5-9-20-10-6-15)22-14-1-3-16(4-2-14)27-17-7-11-21-12-8-17/h1-4,7-8,11-13,15,20H,5-6,9-10H2,(H,22,26)
InChIKeySQPMOJHQECXYNX-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.64
Rot. Bonds5

About 1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide

1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide (PubChem CID 119867835) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide
PubChem CID119867835
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccncc2)cc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H20N6O2/c26-19(18-13-25(24-23-18)15-5-9-20-10-6-15)22-14-1-3-16(4-2-14)27-17-7-11-21-12-8-17/h1-4,7-8,11-13,15,20H,5-6,9-10H2,(H,22,26)
InChIKeySQPMOJHQECXYNX-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

1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride
CID 119828958
N-(3-phenoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673234
N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119849080
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119793747
1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide
CID 119698612
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide;hydrochloride
CID 119698611
N-[4-(cyclohexylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119763422
N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119702447
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
N-(4-phenoxy-3-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119866030
1-piperidin-4-yl-N-[4-(pyridin-3-ylcarbamoyl)phenyl]triazole-4-carboxamide
CID 119844777

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide (CID 119867835) is 1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide is O=C(Nc1ccc(Oc2ccncc2)cc1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide?
The InChIKey is SQPMOJHQECXYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c26-19(18-13-25(24-23-18)15-5-9-20-10-6-15)22-14-1-3-16(4-2-14)27-17-7-11-21-12-8-17/h1-4,7-8,11-13,15,20H,5-6,9-10H2,(H,22,26).
What are the key properties of 1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide?
1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-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 1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 119867835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).