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

C19H26N6O2 — CID 119707297

IUPACN-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H26N6O2/c1-19(2,3)22-17(26)14-6-4-5-7-15(14)21-18(27)16-12-25(24-23-16)13-8-10-20-11-9-13/h4-7,12-13,20H,8-11H2,1-3H3,(H,21,27)(H,22,26)
InChIKeyXVZWRNYBCXVZCX-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.98
Rot. Bonds4

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

N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119707297) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119707297
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H26N6O2/c1-19(2,3)22-17(26)14-6-4-5-7-15(14)21-18(27)16-12-25(24-23-16)13-8-10-20-11-9-13/h4-7,12-13,20H,8-11H2,1-3H3,(H,21,27)(H,22,26)
InChIKeyXVZWRNYBCXVZCX-UHFFFAOYSA-N
XLogP1.98
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119714079
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984
1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide
CID 75419659
N-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709312
N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119707837
1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119819422
N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119669252
N-[2-(2-chlorophenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119696321
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119717745
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119717744
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119748169

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119707297) is N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide is CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is XVZWRNYBCXVZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-19(2,3)22-17(26)14-6-4-5-7-15(14)21-18(27)16-12-25(24-23-16)13-8-10-20-11-9-13/h4-7,12-13,20H,8-11H2,1-3H3,(H,21,27)(H,22,26).
What are the key properties of N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119707297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).