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

C18H26ClN5O2 — CID 120643744

IUPAC2-(3-methoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
SMILESCOc1cccc(C(C)C(=O)Nc2nc(C3CCNCC3)nn2C)c1.Cl
InChIInChI=1S/C18H25N5O2.ClH/c1-12(14-5-4-6-15(11-14)25-3)17(24)21-18-20-16(22-23(18)2)13-7-9-19-10-8-13;/h4-6,11-13,19H,7-10H2,1-3H3,(H,20,21,22,24);1H
InChIKeyMMLGMLZXUSIDQU-UHFFFAOYSA-N
MW379.89 g/mol
LogP2.45
Rot. Bonds5

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

2-(3-methoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride (PubChem CID 120643744) has the molecular formula C18H26ClN5O2 and a molecular weight of 379.89 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
PubChem CID120643744
Molecular FormulaC18H26ClN5O2
Molecular Weight379.89 g/mol
Exact Mass379.18
IUPAC Name2-(3-methoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
SMILESCOc1cccc(C(C)C(=O)Nc2nc(C3CCNCC3)nn2C)c1.Cl
InChIInChI=1S/C18H25N5O2.ClH/c1-12(14-5-4-6-15(11-14)25-3)17(24)21-18-20-16(22-23(18)2)13-7-9-19-10-8-13;/h4-6,11-13,19H,7-10H2,1-3H3,(H,20,21,22,24);1H
InChIKeyMMLGMLZXUSIDQU-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120644723
3-(4-methoxyphenyl)-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
CID 120642069
2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-phenoxybutanamide
CID 120642009
2-(3-methoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450388
2-hydroxy-3-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120644350
4-(2,4-dimethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride
CID 120644318
3-(methoxymethyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643387
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 120643455
2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120643521
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 120642674
4-(3-fluorophenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride
CID 120645023
4-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide
CID 120643222

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride?
The IUPAC name of 2-(3-methoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride (CID 120643744) is 2-(3-methoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride is COc1cccc(C(C)C(=O)Nc2nc(C3CCNCC3)nn2C)c1.Cl.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride?
The InChIKey is MMLGMLZXUSIDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2.ClH/c1-12(14-5-4-6-15(11-14)25-3)17(24)21-18-20-16(22-23(18)2)13-7-9-19-10-8-13;/h4-6,11-13,19H,7-10H2,1-3H3,(H,20,21,22,24);1H.
What are the key properties of 2-(3-methoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride?
2-(3-methoxyphenyl)-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 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 120643744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).