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

C23H35ClN2O2 — CID 3047849

IUPAC2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide
SMILESCC(C(=O)N(C)C1CCCCC1)C1(O)CCN(CCc2ccccc2Cl)CC1
InChIInChI=1S/C23H35ClN2O2/c1-18(22(27)25(2)20-9-4-3-5-10-20)23(28)13-16-26(17-14-23)15-12-19-8-6-7-11-21(19)24/h6-8,11,18,20,28H,3-5,9-10,12-17H2,1-2H3
InChIKeyJRLWHJKUNYBJRC-UHFFFAOYSA-N
MW407.00 g/mol
LogP4.14
Rot. Bonds6

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

2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide (PubChem CID 3047849) has the molecular formula C23H35ClN2O2 and a molecular weight of 407.00 g/mol. Its IUPAC name is 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide
PubChem CID3047849
Molecular FormulaC23H35ClN2O2
Molecular Weight407.00 g/mol
Exact Mass406.24
IUPAC Name2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide
SMILESCC(C(=O)N(C)C1CCCCC1)C1(O)CCN(CCc2ccccc2Cl)CC1
InChIInChI=1S/C23H35ClN2O2/c1-18(22(27)25(2)20-9-4-3-5-10-20)23(28)13-16-26(17-14-23)15-12-19-8-6-7-11-21(19)24/h6-8,11,18,20,28H,3-5,9-10,12-17H2,1-2H3
InChIKeyJRLWHJKUNYBJRC-UHFFFAOYSA-N
XLogP4.14
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.00
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pipradimadol
CID 68883
(Z)-but-2-enedioic acid;2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide
CID 13061481
(Z)-but-2-enedioic acid;2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-prop-2-enylpropanamide
CID 54584075
2-(1-o-chlorophenethyl-4-hydroxy-4-piperidyl)-N-butylpropionamide
CID 13061551
N-cyclohexyl-2-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]-N-methylpropanamide;hydrochloride
CID 13061483
N-cyclohexyl-2-[4-hydroxy-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methylpropanamide;hydrochloride
CID 13061485
2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylacetamide;hydrochloride
CID 13061493
(E)-but-2-enedioic acid;2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylhexanamide
CID 13061495
2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N,3-dimethylbutanamide;hydrobromide
CID 13061497
2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-propylpropanamide
CID 13061507
(E)-but-2-enedioic acid;N,N-dibutyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide
CID 13061516
[1-[2-(2-Chlorophenyl)ethyl]-4-[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl]piperidin-4-yl] propanoate
CID 13061545

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide?
The IUPAC name of 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide (CID 3047849) is 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide.
What is the SMILES notation for 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide?
The canonical SMILES for 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide is CC(C(=O)N(C)C1CCCCC1)C1(O)CCN(CCc2ccccc2Cl)CC1.
What is the InChIKey of 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide?
The InChIKey is JRLWHJKUNYBJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35ClN2O2/c1-18(22(27)25(2)20-9-4-3-5-10-20)23(28)13-16-26(17-14-23)15-12-19-8-6-7-11-21(19)24/h6-8,11,18,20,28H,3-5,9-10,12-17H2,1-2H3.
What are the key properties of 2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide?
2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide has a molecular weight of 407.00 g/mol, XLogP of 4.14, 6 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-methylpropanamide is sourced from PubChem (CID 3047849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).