N-(2-ethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide

C21H24N6O — CID 30921570

IUPACN-(2-ethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCC(n2cc(-c3ccccn3)nn2)CC1
InChIInChI=1S/C21H24N6O/c1-2-16-7-3-4-8-18(16)23-21(28)26-13-10-17(11-14-26)27-15-20(24-25-27)19-9-5-6-12-22-19/h3-9,12,15,17H,2,10-11,13-14H2,1H3,(H,23,28)
InChIKeyZQKGHBKLYYNGTB-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.77
Rot. Bonds4

About N-(2-ethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide

N-(2-ethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide (PubChem CID 30921570) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide
PubChem CID30921570
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-(2-ethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCC(n2cc(-c3ccccn3)nn2)CC1
InChIInChI=1S/C21H24N6O/c1-2-16-7-3-4-8-18(16)23-21(28)26-13-10-17(11-14-26)27-15-20(24-25-27)19-9-5-6-12-22-19/h3-9,12,15,17H,2,10-11,13-14H2,1H3,(H,23,28)
InChIKeyZQKGHBKLYYNGTB-UHFFFAOYSA-N
XLogP3.77
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide
CID 46992891
2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone
CID 46992967
N-(2-ethoxyphenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150153
2-(3-methylphenoxy)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone
CID 46990972
(3R)-3-(4-cyclopropyltriazol-1-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 129357356
N-(2-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150148
3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide
CID 91914758
N-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide
CID 121151383
N-(2,5-dimethylphenyl)-4-(4-pyridin-3-yltriazol-1-yl)piperidine-1-carboxamide
CID 30937423
N-benzoyl-4-(4-phenyltriazol-1-yl)piperidine-1-carboxamide
CID 31134393
3-(4-phenyltriazol-1-yl)-N-propylpyrrolidine-1-carboxamide
CID 121150133
N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150130

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide (CID 30921570) is N-(2-ethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide is CCc1ccccc1NC(=O)N1CCC(n2cc(-c3ccccn3)nn2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide?
The InChIKey is ZQKGHBKLYYNGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-2-16-7-3-4-8-18(16)23-21(28)26-13-10-17(11-14-26)27-15-20(24-25-27)19-9-5-6-12-22-19/h3-9,12,15,17H,2,10-11,13-14H2,1H3,(H,23,28).
What are the key properties of N-(2-ethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide?
N-(2-ethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 30921570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).