N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-phenyltriazol-1-yl)acetamide

C18H25N5O — CID 127481110

IUPACN-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-phenyltriazol-1-yl)acetamide
SMILESCCN1CCC(N(C)C(=O)Cn2cc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C18H25N5O/c1-3-22-11-9-16(10-12-22)21(2)18(24)14-23-13-17(19-20-23)15-7-5-4-6-8-15/h4-8,13,16H,3,9-12,14H2,1-2H3
InChIKeyULCDRTGBPMVAMS-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.89
Rot. Bonds5

About N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-phenyltriazol-1-yl)acetamide

N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-phenyltriazol-1-yl)acetamide (PubChem CID 127481110) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-phenyltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-phenyltriazol-1-yl)acetamide
PubChem CID127481110
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-phenyltriazol-1-yl)acetamide
SMILESCCN1CCC(N(C)C(=O)Cn2cc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C18H25N5O/c1-3-22-11-9-16(10-12-22)21(2)18(24)14-23-13-17(19-20-23)15-7-5-4-6-8-15/h4-8,13,16H,3,9-12,14H2,1-2H3
InChIKeyULCDRTGBPMVAMS-UHFFFAOYSA-N
XLogP1.89
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-phenyltriazol-1-yl)acetamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-phenyltriazol-1-yl)acetamide (CID 127481110) is N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-phenyltriazol-1-yl)acetamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-phenyltriazol-1-yl)acetamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-phenyltriazol-1-yl)acetamide is CCN1CCC(N(C)C(=O)Cn2cc(-c3ccccc3)nn2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-phenyltriazol-1-yl)acetamide?
The InChIKey is ULCDRTGBPMVAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-22-11-9-16(10-12-22)21(2)18(24)14-23-13-17(19-20-23)15-7-5-4-6-8-15/h4-8,13,16H,3,9-12,14H2,1-2H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-phenyltriazol-1-yl)acetamide?
N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-phenyltriazol-1-yl)acetamide has a molecular weight of 327.43 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-phenyltriazol-1-yl)acetamide is sourced from PubChem (CID 127481110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).