1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide

C17H23N5O — CID 75419659

IUPAC1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide
SMILESCCCc1ccccc1NC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C17H23N5O/c1-2-5-13-6-3-4-7-15(13)19-17(23)16-12-22(21-20-16)14-8-10-18-11-9-14/h3-4,6-7,12,14,18H,2,5,8-11H2,1H3,(H,19,23)
InChIKeyWNMGOQYJQABAIO-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.41
Rot. Bonds5

About 1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide

1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide (PubChem CID 75419659) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide
PubChem CID75419659
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide
SMILESCCCc1ccccc1NC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C17H23N5O/c1-2-5-13-6-3-4-7-15(13)19-17(23)16-12-22(21-20-16)14-8-10-18-11-9-14/h3-4,6-7,12,14,18H,2,5,8-11H2,1H3,(H,19,23)
InChIKeyWNMGOQYJQABAIO-UHFFFAOYSA-N
XLogP2.41
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119819422
N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119714079
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984
N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119707297
N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119707837
1-piperidin-4-yl-N-[[2-(propoxymethyl)phenyl]methyl]triazole-4-carboxamide
CID 119734208
N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119801422
1-piperidin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
CID 119688117
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-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119769374

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide (CID 75419659) is 1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide is CCCc1ccccc1NC(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide?
The InChIKey is WNMGOQYJQABAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-2-5-13-6-3-4-7-15(13)19-17(23)16-12-22(21-20-16)14-8-10-18-11-9-14/h3-4,6-7,12,14,18H,2,5,8-11H2,1H3,(H,19,23).
What are the key properties of 1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide?
1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 75419659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).