2-methyl-N-phenyl-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]benzamide

C23H27N5O — CID 166398596

IUPAC2-methyl-N-phenyl-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]benzamide
SMILESCc1ccc(-c2cn(CCC3CCNCC3)nn2)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C23H27N5O/c1-17-7-8-19(15-21(17)23(29)25-20-5-3-2-4-6-20)22-16-28(27-26-22)14-11-18-9-12-24-13-10-18/h2-8,15-16,18,24H,9-14H2,1H3,(H,25,29)
InChIKeyZGASAXMSMFUPND-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.90
Rot. Bonds6

About 2-methyl-N-phenyl-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]benzamide

2-methyl-N-phenyl-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]benzamide (PubChem CID 166398596) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-methyl-N-phenyl-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-phenyl-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]benzamide
PubChem CID166398596
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-methyl-N-phenyl-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]benzamide
SMILESCc1ccc(-c2cn(CCC3CCNCC3)nn2)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C23H27N5O/c1-17-7-8-19(15-21(17)23(29)25-20-5-3-2-4-6-20)22-16-28(27-26-22)14-11-18-9-12-24-13-10-18/h2-8,15-16,18,24H,9-14H2,1H3,(H,25,29)
InChIKeyZGASAXMSMFUPND-UHFFFAOYSA-N
XLogP3.90
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]benzamide?
The IUPAC name of 2-methyl-N-phenyl-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]benzamide (CID 166398596) is 2-methyl-N-phenyl-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-phenyl-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-phenyl-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]benzamide is Cc1ccc(-c2cn(CCC3CCNCC3)nn2)cc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-methyl-N-phenyl-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]benzamide?
The InChIKey is ZGASAXMSMFUPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-17-7-8-19(15-21(17)23(29)25-20-5-3-2-4-6-20)22-16-28(27-26-22)14-11-18-9-12-24-13-10-18/h2-8,15-16,18,24H,9-14H2,1H3,(H,25,29).
What are the key properties of 2-methyl-N-phenyl-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]benzamide?
2-methyl-N-phenyl-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]benzamide has a molecular weight of 389.50 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]benzamide is sourced from PubChem (CID 166398596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).