2-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride

C18H26ClN5O2 — CID 120644723

IUPAC2-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
SMILESCc1cccc(OC(C)C(=O)Nc2nc(C3CCNCC3)nn2C)c1.Cl
InChIInChI=1S/C18H25N5O2.ClH/c1-12-5-4-6-15(11-12)25-13(2)17(24)21-18-20-16(22-23(18)3)14-7-9-19-10-8-14;/h4-6,11,13-14,19H,7-10H2,1-3H3,(H,20,21,22,24);1H
InChIKeyBBYICXMCEWHVIV-UHFFFAOYSA-N
MW379.89 g/mol
LogP2.42
Rot. Bonds5

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

2-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride (PubChem CID 120644723) has the molecular formula C18H26ClN5O2 and a molecular weight of 379.89 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
PubChem CID120644723
Molecular FormulaC18H26ClN5O2
Molecular Weight379.89 g/mol
Exact Mass379.18
IUPAC Name2-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
SMILESCc1cccc(OC(C)C(=O)Nc2nc(C3CCNCC3)nn2C)c1.Cl
InChIInChI=1S/C18H25N5O2.ClH/c1-12-5-4-6-15(11-12)25-13(2)17(24)21-18-20-16(22-23(18)3)14-7-9-19-10-8-14;/h4-6,11,13-14,19H,7-10H2,1-3H3,(H,20,21,22,24);1H
InChIKeyBBYICXMCEWHVIV-UHFFFAOYSA-N
XLogP2.42
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 120644245
2-(3-methoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120643744
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)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 120643455
2-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120642449
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)-3-phenoxybenzamide;hydrochloride
CID 120641846
5-(3-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-3-carboxamide;hydrochloride
CID 120643584
3-(4-methoxyphenyl)-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
CID 120642069
(2R)-N-(2,5-dimethylpyrazol-3-yl)-2-(3-methylphenoxy)propanamide
CID 51937121
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)-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 120642674

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride?
The IUPAC name of 2-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride (CID 120644723) is 2-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride?
The canonical SMILES for 2-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride is Cc1cccc(OC(C)C(=O)Nc2nc(C3CCNCC3)nn2C)c1.Cl.
What is the InChIKey of 2-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride?
The InChIKey is BBYICXMCEWHVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2.ClH/c1-12-5-4-6-15(11-12)25-13(2)17(24)21-18-20-16(22-23(18)3)14-7-9-19-10-8-14;/h4-6,11,13-14,19H,7-10H2,1-3H3,(H,20,21,22,24);1H.
What are the key properties of 2-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride?
2-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 120644723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).