2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide

C17H23N5O — CID 119825765

IUPAC2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide
SMILESCCCN(C(=O)c1cnn(-c2ccccc2)n1)C1CCNCC1
InChIInChI=1S/C17H23N5O/c1-2-12-21(14-8-10-18-11-9-14)17(23)16-13-19-22(20-16)15-6-4-3-5-7-15/h3-7,13-14,18H,2,8-12H2,1H3
InChIKeyUTQMOEXQBZJPPS-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.87
Rot. Bonds5

About 2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide

2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide (PubChem CID 119825765) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide
PubChem CID119825765
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide
SMILESCCCN(C(=O)c1cnn(-c2ccccc2)n1)C1CCNCC1
InChIInChI=1S/C17H23N5O/c1-2-12-21(14-8-10-18-11-9-14)17(23)16-13-19-22(20-16)15-6-4-3-5-7-15/h3-7,13-14,18H,2,8-12H2,1H3
InChIKeyUTQMOEXQBZJPPS-UHFFFAOYSA-N
XLogP1.87
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-phenyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 119825262
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenyltriazole-4-carboxamide
CID 110702370
1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 91645692
N-butyl-N-methyl-2-phenyltriazole-4-carboxamide
CID 110702374
5-phenyl-N-piperidin-4-yl-N-propylpyridine-3-carboxamide
CID 119824704
N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride
CID 119824042
2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide
CID 119823662
2-phenyl-N-piperidin-4-yltriazole-4-carboxamide
CID 43345759
N-piperidin-4-yl-N-propyl-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119825937
N-ethyl-2-(2-phenyltriazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 168890470
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
3-[ethyl-(2-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61007666

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide (CID 119825765) is 2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide is CCCN(C(=O)c1cnn(-c2ccccc2)n1)C1CCNCC1.
What is the InChIKey of 2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide?
The InChIKey is UTQMOEXQBZJPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-2-12-21(14-8-10-18-11-9-14)17(23)16-13-19-22(20-16)15-6-4-3-5-7-15/h3-7,13-14,18H,2,8-12H2,1H3.
What are the key properties of 2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide?
2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide is sourced from PubChem (CID 119825765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).