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

C23H35ClN2O2 — CID 161189947

IUPAC2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide
SMILESCC(c1ccccc1Cl)N1CCC(O)(C(C)C(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C23H35ClN2O2/c1-17(22(27)25(3)19-9-5-4-6-10-19)23(28)13-15-26(16-14-23)18(2)20-11-7-8-12-21(20)24/h7-8,11-12,17-19,28H,4-6,9-10,13-16H2,1-3H3
InChIKeyUTOTVEHIMBRQQN-UHFFFAOYSA-N
MW407.00 g/mol
LogP4.66
Rot. Bonds5

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

2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide (PubChem CID 161189947) has the molecular formula C23H35ClN2O2 and a molecular weight of 407.00 g/mol. Its IUPAC name is 2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide
PubChem CID161189947
Molecular FormulaC23H35ClN2O2
Molecular Weight407.00 g/mol
Exact Mass406.24
IUPAC Name2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide
SMILESCC(c1ccccc1Cl)N1CCC(O)(C(C)C(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C23H35ClN2O2/c1-17(22(27)25(3)19-9-5-4-6-10-19)23(28)13-15-26(16-14-23)18(2)20-11-7-8-12-21(20)24/h7-8,11-12,17-19,28H,4-6,9-10,13-16H2,1-3H3
InChIKeyUTOTVEHIMBRQQN-UHFFFAOYSA-N
XLogP4.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.00
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide?
The IUPAC name of 2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide (CID 161189947) is 2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide.
What is the SMILES notation for 2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide?
The canonical SMILES for 2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide is CC(c1ccccc1Cl)N1CCC(O)(C(C)C(=O)N(C)C2CCCCC2)CC1.
What is the InChIKey of 2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide?
The InChIKey is UTOTVEHIMBRQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35ClN2O2/c1-17(22(27)25(3)19-9-5-4-6-10-19)23(28)13-15-26(16-14-23)18(2)20-11-7-8-12-21(20)24/h7-8,11-12,17-19,28H,4-6,9-10,13-16H2,1-3H3.
What are the key properties of 2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide?
2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide has a molecular weight of 407.00 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide is sourced from PubChem (CID 161189947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).