2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-propylpropanamide

C25H39ClN2O2 — CID 13061507

IUPAC2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-propylpropanamide
SMILESCCCN(C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1)C1CCCCC1
InChIInChI=1S/C25H39ClN2O2/c1-3-16-28(22-10-5-4-6-11-22)24(29)20(2)25(30)14-18-27(19-15-25)17-13-21-9-7-8-12-23(21)26/h7-9,12,20,22,30H,3-6,10-11,13-19H2,1-2H3
InChIKeyYQMGWVMDBGXDSH-UHFFFAOYSA-N
MW435.05 g/mol
LogP4.92
Rot. Bonds8

About 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-propylpropanamide

2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-propylpropanamide (PubChem CID 13061507) has the molecular formula C25H39ClN2O2 and a molecular weight of 435.05 g/mol. Its IUPAC name is 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-propylpropanamide.

Molecular Properties

Compound Name2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-propylpropanamide
PubChem CID13061507
Molecular FormulaC25H39ClN2O2
Molecular Weight435.05 g/mol
Exact Mass434.27
IUPAC Name2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-propylpropanamide
SMILESCCCN(C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1)C1CCCCC1
InChIInChI=1S/C25H39ClN2O2/c1-3-16-28(22-10-5-4-6-11-22)24(29)20(2)25(30)14-18-27(19-15-25)17-13-21-9-7-8-12-23(21)26/h7-9,12,20,22,30H,3-6,10-11,13-19H2,1-2H3
InChIKeyYQMGWVMDBGXDSH-UHFFFAOYSA-N
XLogP4.92
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.05
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-propylpropanamide?
The IUPAC name of 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-propylpropanamide (CID 13061507) is 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-propylpropanamide.
What is the SMILES notation for 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-propylpropanamide?
The canonical SMILES for 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-propylpropanamide is CCCN(C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1)C1CCCCC1.
What is the InChIKey of 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-propylpropanamide?
The InChIKey is YQMGWVMDBGXDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39ClN2O2/c1-3-16-28(22-10-5-4-6-11-22)24(29)20(2)25(30)14-18-27(19-15-25)17-13-21-9-7-8-12-23(21)26/h7-9,12,20,22,30H,3-6,10-11,13-19H2,1-2H3.
What are the key properties of 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-propylpropanamide?
2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-propylpropanamide has a molecular weight of 435.05 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-propylpropanamide is sourced from PubChem (CID 13061507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).