[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone

C17H18ClN3O3 — CID 119068208

IUPAC[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone
SMILESCOc1ncc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C17H18ClN3O3/c1-24-16-19-10-12(11-20-16)15(22)21-8-6-17(23,7-9-21)13-2-4-14(18)5-3-13/h2-5,10-11,23H,6-9H2,1H3
InChIKeyAQWMARJKRYNSSY-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.26
Rot. Bonds3

About [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone

[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone (PubChem CID 119068208) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone
PubChem CID119068208
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone
SMILESCOc1ncc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C17H18ClN3O3/c1-24-16-19-10-12(11-20-16)15(22)21-8-6-17(23,7-9-21)13-2-4-14(18)5-3-13/h2-5,10-11,23H,6-9H2,1H3
InChIKeyAQWMARJKRYNSSY-UHFFFAOYSA-N
XLogP2.26
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone 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 [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone (CID 119068208) is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone is COc1ncc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cn1.
What is the InChIKey of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone?
The InChIKey is AQWMARJKRYNSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-24-16-19-10-12(11-20-16)15(22)21-8-6-17(23,7-9-21)13-2-4-14(18)5-3-13/h2-5,10-11,23H,6-9H2,1H3.
What are the key properties of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone?
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone has a molecular weight of 347.80 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone is sourced from PubChem (CID 119068208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).