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

C19H27N5O4 — CID 119691535

IUPAC5-methyl-1-piperidin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide
SMILESCOc1cc(CNC(=O)c2nnn(C3CCNCC3)c2C)cc(OC)c1OC
InChIInChI=1S/C19H27N5O4/c1-12-17(22-23-24(12)14-5-7-20-8-6-14)19(25)21-11-13-9-15(26-2)18(28-4)16(10-13)27-3/h9-10,14,20H,5-8,11H2,1-4H3,(H,21,25)
InChIKeyAHYGADMVIGFMNJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.47
Rot. Bonds7

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

5-methyl-1-piperidin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide (PubChem CID 119691535) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-methyl-1-piperidin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-piperidin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide
PubChem CID119691535
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Name5-methyl-1-piperidin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide
SMILESCOc1cc(CNC(=O)c2nnn(C3CCNCC3)c2C)cc(OC)c1OC
InChIInChI=1S/C19H27N5O4/c1-12-17(22-23-24(12)14-5-7-20-8-6-14)19(25)21-11-13-9-15(26-2)18(28-4)16(10-13)27-3/h9-10,14,20H,5-8,11H2,1-4H3,(H,21,25)
InChIKeyAHYGADMVIGFMNJ-UHFFFAOYSA-N
XLogP1.47
TPSA99.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

5-methyl-1-piperidin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119716036
N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119718209
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-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119684778
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119679218
N-(3-ethoxy-4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119717648
N-[(2,5-difluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709612
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766858
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-[1-(2,5-dimethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119691786

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-piperidin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 5-methyl-1-piperidin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide (CID 119691535) is 5-methyl-1-piperidin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-piperidin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-piperidin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide is COc1cc(CNC(=O)c2nnn(C3CCNCC3)c2C)cc(OC)c1OC.
What is the InChIKey of 5-methyl-1-piperidin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide?
The InChIKey is AHYGADMVIGFMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4/c1-12-17(22-23-24(12)14-5-7-20-8-6-14)19(25)21-11-13-9-15(26-2)18(28-4)16(10-13)27-3/h9-10,14,20H,5-8,11H2,1-4H3,(H,21,25).
What are the key properties of 5-methyl-1-piperidin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide?
5-methyl-1-piperidin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 1.47, 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-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 119691535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).