N-(3-ethylphenyl)-2-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide

C17H23N5O — CID 164643219

IUPACN-(3-ethylphenyl)-2-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)CN2CCC[C@H](n3cncn3)C2)c1
InChIInChI=1S/C17H23N5O/c1-2-14-5-3-6-15(9-14)20-17(23)11-21-8-4-7-16(10-21)22-13-18-12-19-22/h3,5-6,9,12-13,16H,2,4,7-8,10-11H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyYAHWQXRDYKHWGH-INIZCTEOSA-N
MW313.41 g/mol
LogP2.12
Rot. Bonds5

About N-(3-ethylphenyl)-2-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide

N-(3-ethylphenyl)-2-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 164643219) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide
PubChem CID164643219
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-(3-ethylphenyl)-2-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)CN2CCC[C@H](n3cncn3)C2)c1
InChIInChI=1S/C17H23N5O/c1-2-14-5-3-6-15(9-14)20-17(23)11-21-8-4-7-16(10-21)22-13-18-12-19-22/h3,5-6,9,12-13,16H,2,4,7-8,10-11H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyYAHWQXRDYKHWGH-INIZCTEOSA-N
XLogP2.12
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-ethylphenyl)-2-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide (CID 164643219) is N-(3-ethylphenyl)-2-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide is CCc1cccc(NC(=O)CN2CCC[C@H](n3cncn3)C2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide?
The InChIKey is YAHWQXRDYKHWGH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N5O/c1-2-14-5-3-6-15(9-14)20-17(23)11-21-8-4-7-16(10-21)22-13-18-12-19-22/h3,5-6,9,12-13,16H,2,4,7-8,10-11H2,1H3,(H,20,23)/t16-/m0/s1.
What are the key properties of N-(3-ethylphenyl)-2-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide?
N-(3-ethylphenyl)-2-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 313.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 164643219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).