2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N,N-diphenylacetamide

C26H27N5O — CID 1469769

IUPAC2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N,N-diphenylacetamide
SMILESCc1ccc2c(c1)nnn2C1CCN(CC(=O)N(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H27N5O/c1-20-12-13-25-24(18-20)27-28-31(25)23-14-16-29(17-15-23)19-26(32)30(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,23H,14-17,19H2,1H3
InChIKeyZAKXFLVLSVNWTC-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.74
Rot. Bonds5

About 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N,N-diphenylacetamide

2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N,N-diphenylacetamide (PubChem CID 1469769) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N,N-diphenylacetamide.

Molecular Properties

Compound Name2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N,N-diphenylacetamide
PubChem CID1469769
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N,N-diphenylacetamide
SMILESCc1ccc2c(c1)nnn2C1CCN(CC(=O)N(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H27N5O/c1-20-12-13-25-24(18-20)27-28-31(25)23-14-16-29(17-15-23)19-26(32)30(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,23H,14-17,19H2,1H3
InChIKeyZAKXFLVLSVNWTC-UHFFFAOYSA-N
XLogP4.74
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N,N-diphenylacetamide?
The IUPAC name of 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N,N-diphenylacetamide (CID 1469769) is 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N,N-diphenylacetamide.
What is the SMILES notation for 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N,N-diphenylacetamide?
The canonical SMILES for 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N,N-diphenylacetamide is Cc1ccc2c(c1)nnn2C1CCN(CC(=O)N(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N,N-diphenylacetamide?
The InChIKey is ZAKXFLVLSVNWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-20-12-13-25-24(18-20)27-28-31(25)23-14-16-29(17-15-23)19-26(32)30(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,23H,14-17,19H2,1H3.
What are the key properties of 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N,N-diphenylacetamide?
2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N,N-diphenylacetamide has a molecular weight of 425.54 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N,N-diphenylacetamide is sourced from PubChem (CID 1469769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).