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

C19H27N5O2 — CID 120643222

IUPAC4-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide
SMILESCc1cccc(OCCCC(=O)Nc2nc(C3CCNCC3)nn2C)c1
InChIInChI=1S/C19H27N5O2/c1-14-5-3-6-16(13-14)26-12-4-7-17(25)21-19-22-18(23-24(19)2)15-8-10-20-11-9-15/h3,5-6,13,15,20H,4,7-12H2,1-2H3,(H,21,22,23,25)
InChIKeyYGXYEIIPEFNDIX-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.39
Rot. Bonds7

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

4-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide (PubChem CID 120643222) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide.

Molecular Properties

Compound Name4-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide
PubChem CID120643222
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name4-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide
SMILESCc1cccc(OCCCC(=O)Nc2nc(C3CCNCC3)nn2C)c1
InChIInChI=1S/C19H27N5O2/c1-14-5-3-6-16(13-14)26-12-4-7-17(25)21-19-22-18(23-24(19)2)15-8-10-20-11-9-15/h3,5-6,13,15,20H,4,7-12H2,1-2H3,(H,21,22,23,25)
InChIKeyYGXYEIIPEFNDIX-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-fluorophenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride
CID 120645023
4-(4-chloro-3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride
CID 120644460
4-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride
CID 120642134
2-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120644723
2-(2,6-dimethylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120645086
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 120644292
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)-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 120642674
4-(2,4-dimethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride
CID 120644318
2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-phenoxybutanamide
CID 120642009
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-thiophen-2-ylbutanamide;hydrochloride
CID 120642605
3-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120644136

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide?
The IUPAC name of 4-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide (CID 120643222) is 4-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide.
What is the SMILES notation for 4-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide?
The canonical SMILES for 4-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide is Cc1cccc(OCCCC(=O)Nc2nc(C3CCNCC3)nn2C)c1.
What is the InChIKey of 4-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide?
The InChIKey is YGXYEIIPEFNDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14-5-3-6-16(13-14)26-12-4-7-17(25)21-19-22-18(23-24(19)2)15-8-10-20-11-9-15/h3,5-6,13,15,20H,4,7-12H2,1-2H3,(H,21,22,23,25).
What are the key properties of 4-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide?
4-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide has a molecular weight of 357.46 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide is sourced from PubChem (CID 120643222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).