1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone

C19H20N4O2 — CID 167977497

IUPAC1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2c1)N1CCCC(O)(c2cn[nH]n2)C1
InChIInChI=1S/C19H20N4O2/c24-18(11-14-6-7-15-4-1-2-5-16(15)10-14)23-9-3-8-19(25,13-23)17-12-20-22-21-17/h1-2,4-7,10,12,25H,3,8-9,11,13H2,(H,20,21,22)
InChIKeySGVWFUNLBKIAKO-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.01
Rot. Bonds3

About 1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone

1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone (PubChem CID 167977497) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone.

Molecular Properties

Compound Name1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone
PubChem CID167977497
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2c1)N1CCCC(O)(c2cn[nH]n2)C1
InChIInChI=1S/C19H20N4O2/c24-18(11-14-6-7-15-4-1-2-5-16(15)10-14)23-9-3-8-19(25,13-23)17-12-20-22-21-17/h1-2,4-7,10,12,25H,3,8-9,11,13H2,(H,20,21,22)
InChIKeySGVWFUNLBKIAKO-UHFFFAOYSA-N
XLogP2.01
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone 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 1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone?
The IUPAC name of 1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone (CID 167977497) is 1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone.
What is the SMILES notation for 1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone?
The canonical SMILES for 1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone is O=C(Cc1ccc2ccccc2c1)N1CCCC(O)(c2cn[nH]n2)C1.
What is the InChIKey of 1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone?
The InChIKey is SGVWFUNLBKIAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-18(11-14-6-7-15-4-1-2-5-16(15)10-14)23-9-3-8-19(25,13-23)17-12-20-22-21-17/h1-2,4-7,10,12,25H,3,8-9,11,13H2,(H,20,21,22).
What are the key properties of 1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone?
1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone has a molecular weight of 336.40 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone is sourced from PubChem (CID 167977497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).