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

C19H27N5O2 — CID 120642009

IUPAC2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-phenoxybutanamide
SMILESCC(CCOc1ccccc1)C(=O)Nc1nc(C2CCNCC2)nn1C
InChIInChI=1S/C19H27N5O2/c1-14(10-13-26-16-6-4-3-5-7-16)18(25)22-19-21-17(23-24(19)2)15-8-11-20-12-9-15/h3-7,14-15,20H,8-13H2,1-2H3,(H,21,22,23,25)
InChIKeyJVHSUIJAAFURAL-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.33
Rot. Bonds7

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

2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-phenoxybutanamide (PubChem CID 120642009) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-phenoxybutanamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-phenoxybutanamide
PubChem CID120642009
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-phenoxybutanamide
SMILESCC(CCOc1ccccc1)C(=O)Nc1nc(C2CCNCC2)nn1C
InChIInChI=1S/C19H27N5O2/c1-14(10-13-26-16-6-4-3-5-7-16)18(25)22-19-21-17(23-24(19)2)15-8-11-20-12-9-15/h3-7,14-15,20H,8-13H2,1-2H3,(H,21,22,23,25)
InChIKeyJVHSUIJAAFURAL-UHFFFAOYSA-N
XLogP2.33
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
CID 120642069
2-(3-methoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120643744
3-cyclohexyl-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120644548
4-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide
CID 120643222
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide
CID 120642790
4-(3-fluorophenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride
CID 120645023
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenoxybenzamide;hydrochloride
CID 120641846
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 120644292
2-(2-methoxyphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120641815
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 120643455
2-(2,6-dimethylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120645086
(2R)-2-methyl-4-phenoxy-N-(2,4,5-trimethylpyrazol-3-yl)butanamide
CID 95905213

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-phenoxybutanamide?
The IUPAC name of 2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-phenoxybutanamide (CID 120642009) is 2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-phenoxybutanamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-phenoxybutanamide?
The canonical SMILES for 2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-phenoxybutanamide is CC(CCOc1ccccc1)C(=O)Nc1nc(C2CCNCC2)nn1C.
What is the InChIKey of 2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-phenoxybutanamide?
The InChIKey is JVHSUIJAAFURAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14(10-13-26-16-6-4-3-5-7-16)18(25)22-19-21-17(23-24(19)2)15-8-11-20-12-9-15/h3-7,14-15,20H,8-13H2,1-2H3,(H,21,22,23,25).
What are the key properties of 2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-phenoxybutanamide?
2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-phenoxybutanamide has a molecular weight of 357.46 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-phenoxybutanamide is sourced from PubChem (CID 120642009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).