3-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide

C18H25N5O — CID 120642245

IUPAC3-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2nc(C3CCNCC3)nn2C)cc1
InChIInChI=1S/C18H25N5O/c1-13-3-5-14(6-4-13)7-8-16(24)20-18-21-17(22-23(18)2)15-9-11-19-12-10-15/h3-6,15,19H,7-12H2,1-2H3,(H,20,21,22,24)
InChIKeyHISJEJFSLFCEFS-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.16
Rot. Bonds5

About 3-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide

3-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide (PubChem CID 120642245) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
PubChem CID120642245
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name3-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2nc(C3CCNCC3)nn2C)cc1
InChIInChI=1S/C18H25N5O/c1-13-3-5-14(6-4-13)7-8-16(24)20-18-21-17(22-23(18)2)15-9-11-19-12-10-15/h3-6,15,19H,7-12H2,1-2H3,(H,20,21,22,24)
InChIKeyHISJEJFSLFCEFS-UHFFFAOYSA-N
XLogP2.16
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide
CID 120642790
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(4-propan-2-ylphenyl)propanamide
CID 120643034
3-(3,5-dimethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120644988
3-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120644136
3-(furan-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
CID 120644600
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 120644292
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120643773
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride
CID 120644530
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-propylbenzamide;hydrochloride
CID 120644118
3-(4-bromothiophen-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120643746
4-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide
CID 120643222
2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120642114

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide (CID 120642245) is 3-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide is Cc1ccc(CCC(=O)Nc2nc(C3CCNCC3)nn2C)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is HISJEJFSLFCEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-3-5-14(6-4-13)7-8-16(24)20-18-21-17(22-23(18)2)15-9-11-19-12-10-15/h3-6,15,19H,7-12H2,1-2H3,(H,20,21,22,24).
What are the key properties of 3-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide?
3-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 327.43 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 120642245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).