N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide

C19H22N8O — CID 119763582

IUPACN-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H22N8O/c28-19(16-11-27(26-23-16)15-6-8-20-9-7-15)21-14-3-1-2-13(10-14)18-22-17(24-25-18)12-4-5-12/h1-3,10-12,15,20H,4-9H2,(H,21,28)(H,22,24,25)
InChIKeyUAVKDIRRNGJSIP-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.12
Rot. Bonds5

About N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119763582) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119763582
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC NameN-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H22N8O/c28-19(16-11-27(26-23-16)15-6-8-20-9-7-15)21-14-3-1-2-13(10-14)18-22-17(24-25-18)12-4-5-12/h1-3,10-12,15,20H,4-9H2,(H,21,28)(H,22,24,25)
InChIKeyUAVKDIRRNGJSIP-UHFFFAOYSA-N
XLogP2.12
TPSA113.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide with MolForge

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Related Compounds

1-piperidin-4-yl-N-(3-thiophen-2-ylphenyl)triazole-4-carboxamide;hydrochloride
CID 119708561
methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119679642
N-[3-(1,3-oxazol-5-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119399827
5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 167925038
1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119671254
N-(3-phenoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673234
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
N-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119685390
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
N-[3-(dimethylsulfamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672920
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119763609
N-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119702697

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119763582) is N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide is O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is UAVKDIRRNGJSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c28-19(16-11-27(26-23-16)15-6-8-20-9-7-15)21-14-3-1-2-13(10-14)18-22-17(24-25-18)12-4-5-12/h1-3,10-12,15,20H,4-9H2,(H,21,28)(H,22,24,25).
What are the key properties of N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119763582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).