N-[2-(2-chlorophenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide

C20H20ClN5O2 — CID 119696321

IUPACN-[2-(2-chlorophenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1Cl)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C20H20ClN5O2/c21-15-5-1-3-7-18(15)28-19-8-4-2-6-16(19)23-20(27)17-13-26(25-24-17)14-9-11-22-12-10-14/h1-8,13-14,22H,9-12H2,(H,23,27)
InChIKeyOGBKPWBHVWAZCT-UHFFFAOYSA-N
MW397.87 g/mol
LogP3.90
Rot. Bonds5

About N-[2-(2-chlorophenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[2-(2-chlorophenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119696321) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119696321
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC NameN-[2-(2-chlorophenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1Cl)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C20H20ClN5O2/c21-15-5-1-3-7-18(15)28-19-8-4-2-6-16(19)23-20(27)17-13-26(25-24-17)14-9-11-22-12-10-14/h1-8,13-14,22H,9-12H2,(H,23,27)
InChIKeyOGBKPWBHVWAZCT-UHFFFAOYSA-N
XLogP3.90
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-(4-phenoxy-3-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119866030
N-(2-methoxy-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119740560
N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119707837
N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119707297
1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide
CID 75419659
N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119714079
N-(3-phenoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673234
N-(2,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673265
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119819422

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[2-(2-chlorophenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119696321) is N-[2-(2-chlorophenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide is O=C(Nc1ccccc1Oc1ccccc1Cl)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[2-(2-chlorophenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is OGBKPWBHVWAZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c21-15-5-1-3-7-18(15)28-19-8-4-2-6-16(19)23-20(27)17-13-26(25-24-17)14-9-11-22-12-10-14/h1-8,13-14,22H,9-12H2,(H,23,27).
What are the key properties of N-[2-(2-chlorophenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[2-(2-chlorophenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 397.87 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119696321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).