[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl] acetate

C21H21N3O2 — CID 91343706

IUPAC[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl] acetate
SMILESCC(=O)OC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C21H21N3O2/c1-15(25)26-19-9-12-24(13-10-19)21-22-11-8-20(23-21)18-7-6-16-4-2-3-5-17(16)14-18/h2-8,11,14,19H,9-10,12-13H2,1H3
InChIKeyNQUAPYORZNCHTG-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.83
Rot. Bonds3

About [1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl] acetate

[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl] acetate (PubChem CID 91343706) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is [1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl] acetate.

Molecular Properties

Compound Name[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl] acetate
PubChem CID91343706
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl] acetate
SMILESCC(=O)OC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C21H21N3O2/c1-15(25)26-19-9-12-24(13-10-19)21-22-11-8-20(23-21)18-7-6-16-4-2-3-5-17(16)14-18/h2-8,11,14,19H,9-10,12-13H2,1H3
InChIKeyNQUAPYORZNCHTG-UHFFFAOYSA-N
XLogP3.83
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl] acetate with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 69083843
[(1R)-1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamic acid
CID 69082107
methyl-[2-[methyl-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]amino]ethyl]carbamic acid
CID 68728830
1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 68726054
4-naphthalen-2-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 68726476
[1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine
CID 68725072
N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide
CID 68728512
benzyl N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamate
CID 90986865
2-[4-[[methyl(methylsulfamoyl)amino]methyl]piperidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 68728464
[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 25217111
2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 25217829
2-[3-(azetidin-1-ylmethyl)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 68727753

Frequently Asked Questions

What is the IUPAC name of [1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl] acetate?
The IUPAC name of [1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl] acetate (CID 91343706) is [1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl] acetate.
What is the SMILES notation for [1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl] acetate?
The canonical SMILES for [1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl] acetate is CC(=O)OC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1.
What is the InChIKey of [1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl] acetate?
The InChIKey is NQUAPYORZNCHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15(25)26-19-9-12-24(13-10-19)21-22-11-8-20(23-21)18-7-6-16-4-2-3-5-17(16)14-18/h2-8,11,14,19H,9-10,12-13H2,1H3.
What are the key properties of [1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl] acetate?
[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl] acetate has a molecular weight of 347.42 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl] acetate is sourced from PubChem (CID 91343706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).