3,4,5-trimethoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide

C18H25N5O4 — CID 120644463

IUPAC3,4,5-trimethoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nc(C3CCNCC3)nn2C)cc(OC)c1OC
InChIInChI=1S/C18H25N5O4/c1-23-18(20-16(22-23)11-5-7-19-8-6-11)21-17(24)12-9-13(25-2)15(27-4)14(10-12)26-3/h9-11,19H,5-8H2,1-4H3,(H,20,21,22,24)
InChIKeyLJZCDHJVSAZPGS-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.56
Rot. Bonds6

About 3,4,5-trimethoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide

3,4,5-trimethoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide (PubChem CID 120644463) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
PubChem CID120644463
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC Name3,4,5-trimethoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nc(C3CCNCC3)nn2C)cc(OC)c1OC
InChIInChI=1S/C18H25N5O4/c1-23-18(20-16(22-23)11-5-7-19-8-6-11)21-17(24)12-9-13(25-2)15(27-4)14(10-12)26-3/h9-11,19H,5-8H2,1-4H3,(H,20,21,22,24)
InChIKeyLJZCDHJVSAZPGS-UHFFFAOYSA-N
XLogP1.56
TPSA99.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(difluoromethoxy)-4-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120644384
3,4-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120642680
2-hydroxy-3-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120644350
4-acetamido-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120644889
2-(2-methoxyphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120641815
3-(methoxymethyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643387
2-cyclobutyloxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide
CID 120643052
3-chloro-4-fluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643990
1-N-(2,2-dimethylpropyl)-4-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzene-1,4-dicarboxamide
CID 120642634
3-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120643486
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 120644020
1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide
CID 120643132

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide (CID 120644463) is 3,4,5-trimethoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide is COc1cc(C(=O)Nc2nc(C3CCNCC3)nn2C)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is LJZCDHJVSAZPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4/c1-23-18(20-16(22-23)11-5-7-19-8-6-11)21-17(24)12-9-13(25-2)15(27-4)14(10-12)26-3/h9-11,19H,5-8H2,1-4H3,(H,20,21,22,24).
What are the key properties of 3,4,5-trimethoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide?
3,4,5-trimethoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 375.43 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 120644463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).