2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-(2-ethoxyphenyl)-N-ethylpropanamide

C26H35ClN2O3 — CID 13061527

IUPAC2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-(2-ethoxyphenyl)-N-ethylpropanamide
SMILESCCOc1ccccc1N(CC)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1
InChIInChI=1S/C26H35ClN2O3/c1-4-29(23-12-8-9-13-24(23)32-5-2)25(30)20(3)26(31)15-18-28(19-16-26)17-14-21-10-6-7-11-22(21)27/h6-13,20,31H,4-5,14-19H2,1-3H3
InChIKeyPQXIXGWYUSOJLV-UHFFFAOYSA-N
MW459.03 g/mol
LogP4.80
Rot. Bonds9

About 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-(2-ethoxyphenyl)-N-ethylpropanamide

2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-(2-ethoxyphenyl)-N-ethylpropanamide (PubChem CID 13061527) has the molecular formula C26H35ClN2O3 and a molecular weight of 459.03 g/mol. Its IUPAC name is 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-(2-ethoxyphenyl)-N-ethylpropanamide.

Molecular Properties

Compound Name2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-(2-ethoxyphenyl)-N-ethylpropanamide
PubChem CID13061527
Molecular FormulaC26H35ClN2O3
Molecular Weight459.03 g/mol
Exact Mass458.23
IUPAC Name2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-(2-ethoxyphenyl)-N-ethylpropanamide
SMILESCCOc1ccccc1N(CC)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1
InChIInChI=1S/C26H35ClN2O3/c1-4-29(23-12-8-9-13-24(23)32-5-2)25(30)20(3)26(31)15-18-28(19-16-26)17-14-21-10-6-7-11-22(21)27/h6-13,20,31H,4-5,14-19H2,1-3H3
InChIKeyPQXIXGWYUSOJLV-UHFFFAOYSA-N
XLogP4.80
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.03
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-(2-ethoxyphenyl)-N-ethylpropanamide 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

(E)-but-2-enedioic acid;2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-(2-methoxyphenyl)-N-propylpropanamide
CID 13061526
(Z)-but-2-enedioic acid;2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-(2-ethoxyphenyl)-N-propylpropanamide
CID 54580103
(E)-but-2-enedioic acid;2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-ethyl-N-(2-methoxyphenyl)propanamide
CID 54582123
(E)-but-2-enedioic acid;2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-(2-ethoxyphenyl)-N-methylpropanamide
CID 54582124
(Z)-but-2-enedioic acid;2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-(2-methoxyphenyl)-N-prop-2-ynylpropanamide
CID 54585019
(Z)-but-2-enedioic acid;2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-(2-methoxyphenyl)-N-prop-2-enylpropanamide
CID 54586957
2-(4-Chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 873977
4-(2-Chloro-benzyl)-4H-benzo[1,4]oxazin-3-one
CID 655620
4-[(2-Chlorophenyl)methyl]-2-methyl-1,4-benzoxazin-3-one
CID 653539
(E)-but-2-enedioic acid;2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-ethyl-N-(2-methoxyphenyl)-2-methylpropanamide
CID 13061500
4-(4-Chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-2,6-dione
CID 53328503
4-(4-Chlorophenyl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-dione
CID 53328507

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-(2-ethoxyphenyl)-N-ethylpropanamide?
The IUPAC name of 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-(2-ethoxyphenyl)-N-ethylpropanamide (CID 13061527) is 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-(2-ethoxyphenyl)-N-ethylpropanamide.
What is the SMILES notation for 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-(2-ethoxyphenyl)-N-ethylpropanamide?
The canonical SMILES for 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-(2-ethoxyphenyl)-N-ethylpropanamide is CCOc1ccccc1N(CC)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1.
What is the InChIKey of 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-(2-ethoxyphenyl)-N-ethylpropanamide?
The InChIKey is PQXIXGWYUSOJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN2O3/c1-4-29(23-12-8-9-13-24(23)32-5-2)25(30)20(3)26(31)15-18-28(19-16-26)17-14-21-10-6-7-11-22(21)27/h6-13,20,31H,4-5,14-19H2,1-3H3.
What are the key properties of 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-(2-ethoxyphenyl)-N-ethylpropanamide?
2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-(2-ethoxyphenyl)-N-ethylpropanamide has a molecular weight of 459.03 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-(2-ethoxyphenyl)-N-ethylpropanamide is sourced from PubChem (CID 13061527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).