N-methyl-1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide

C17H21N5O2 — CID 51078235

IUPACN-methyl-1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1nn(-c2ccccc2)nc1C
InChIInChI=1S/C17H21N5O2/c1-12-15(20-22(19-12)13-8-4-3-5-9-13)17(24)21-11-7-6-10-14(21)16(23)18-2/h3-5,8-9,14H,6-7,10-11H2,1-2H3,(H,18,23)
InChIKeyYKQIMLFRNHSZTE-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.32
Rot. Bonds3

About N-methyl-1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide

N-methyl-1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide (PubChem CID 51078235) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide
PubChem CID51078235
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-methyl-1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1nn(-c2ccccc2)nc1C
InChIInChI=1S/C17H21N5O2/c1-12-15(20-22(19-12)13-8-4-3-5-9-13)17(24)21-11-7-6-10-14(21)16(23)18-2/h3-5,8-9,14H,6-7,10-11H2,1-2H3,(H,18,23)
InChIKeyYKQIMLFRNHSZTE-UHFFFAOYSA-N
XLogP1.32
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-methyl-1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide (CID 51078235) is N-methyl-1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-methyl-1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)c1nn(-c2ccccc2)nc1C.
What is the InChIKey of N-methyl-1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide?
The InChIKey is YKQIMLFRNHSZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-15(20-22(19-12)13-8-4-3-5-9-13)17(24)21-11-7-6-10-14(21)16(23)18-2/h3-5,8-9,14H,6-7,10-11H2,1-2H3,(H,18,23).
What are the key properties of N-methyl-1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide?
N-methyl-1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 51078235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).