5-methyl-1-piperidin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride

C19H28ClN5O4 — CID 119716036

IUPAC5-methyl-1-piperidin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)c2nnn(C3CCNCC3)c2C)c(OC)c1OC.Cl
InChIInChI=1S/C19H27N5O4.ClH/c1-12-16(22-23-24(12)14-7-9-20-10-8-14)19(25)21-11-13-5-6-15(26-2)18(28-4)17(13)27-3;/h5-6,14,20H,7-11H2,1-4H3,(H,21,25);1H
InChIKeyZRCHMMXCWJEUFT-UHFFFAOYSA-N
MW425.92 g/mol
LogP1.89
Rot. Bonds7

About 5-methyl-1-piperidin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride

5-methyl-1-piperidin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride (PubChem CID 119716036) has the molecular formula C19H28ClN5O4 and a molecular weight of 425.92 g/mol. Its IUPAC name is 5-methyl-1-piperidin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-1-piperidin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
PubChem CID119716036
Molecular FormulaC19H28ClN5O4
Molecular Weight425.92 g/mol
Exact Mass425.18
IUPAC Name5-methyl-1-piperidin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)c2nnn(C3CCNCC3)c2C)c(OC)c1OC.Cl
InChIInChI=1S/C19H27N5O4.ClH/c1-12-16(22-23-24(12)14-7-9-20-10-8-14)19(25)21-11-13-5-6-15(26-2)18(28-4)17(13)27-3;/h5-6,14,20H,7-11H2,1-4H3,(H,21,25);1H
InChIKeyZRCHMMXCWJEUFT-UHFFFAOYSA-N
XLogP1.89
TPSA99.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-methyl-1-piperidin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

5-methyl-1-piperidin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide
CID 119691535
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119816303
N-[(2,5-difluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709612
N-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119718313
5-methyl-1-piperidin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 119697678
N-(3-ethoxy-4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119717648
N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119718209
N-(3-fluoro-4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705669
N-(3-methoxy-2,4-dimethylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119728769
N-[2-(3,5-dimethoxyphenoxy)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822595
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119673146
N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681231

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-piperidin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-1-piperidin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride (CID 119716036) is 5-methyl-1-piperidin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-1-piperidin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-1-piperidin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride is COc1ccc(CNC(=O)c2nnn(C3CCNCC3)c2C)c(OC)c1OC.Cl.
What is the InChIKey of 5-methyl-1-piperidin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride?
The InChIKey is ZRCHMMXCWJEUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4.ClH/c1-12-16(22-23-24(12)14-7-9-20-10-8-14)19(25)21-11-13-5-6-15(26-2)18(28-4)17(13)27-3;/h5-6,14,20H,7-11H2,1-4H3,(H,21,25);1H.
What are the key properties of 5-methyl-1-piperidin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride?
5-methyl-1-piperidin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride has a molecular weight of 425.92 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-piperidin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119716036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).