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

C17H22N6O2 — CID 120644889

IUPAC4-acetamido-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2nc(C3CCNCC3)nn2C)cc1
InChIInChI=1S/C17H22N6O2/c1-11(24)19-14-5-3-13(4-6-14)16(25)21-17-20-15(22-23(17)2)12-7-9-18-10-8-12/h3-6,12,18H,7-10H2,1-2H3,(H,19,24)(H,20,21,22,25)
InChIKeyTZGAOLCEZFHNNF-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.49
Rot. Bonds4

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

4-acetamido-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide (PubChem CID 120644889) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-acetamido-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
PubChem CID120644889
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name4-acetamido-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2nc(C3CCNCC3)nn2C)cc1
InChIInChI=1S/C17H22N6O2/c1-11(24)19-14-5-3-13(4-6-14)16(25)21-17-20-15(22-23(17)2)12-7-9-18-10-8-12/h3-6,12,18H,7-10H2,1-2H3,(H,19,24)(H,20,21,22,25)
InChIKeyTZGAOLCEZFHNNF-UHFFFAOYSA-N
XLogP1.49
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-propylbenzamide;hydrochloride
CID 120644118
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
3,4-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120642680
4-(difluoromethylsulfanyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643906
4-(ethylsulfanylmethyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643371
3-chloro-4-fluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643990
1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide
CID 120643132
4-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-nitrobenzamide
CID 120643837
3-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-nitrobenzamide
CID 120642237
5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
CID 120642784
3,4,5-trimethoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120644463
4-chloro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 120642156

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 4-acetamido-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide (CID 120644889) is 4-acetamido-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 4-acetamido-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 4-acetamido-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide is CC(=O)Nc1ccc(C(=O)Nc2nc(C3CCNCC3)nn2C)cc1.
What is the InChIKey of 4-acetamido-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is TZGAOLCEZFHNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-11(24)19-14-5-3-13(4-6-14)16(25)21-17-20-15(22-23(17)2)12-7-9-18-10-8-12/h3-6,12,18H,7-10H2,1-2H3,(H,19,24)(H,20,21,22,25).
What are the key properties of 4-acetamido-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide?
4-acetamido-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 342.40 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 120644889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).