2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-cyclohexyl-N-methylpropanamide

C22H34N2O2 — CID 13061433

IUPAC2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-cyclohexyl-N-methylpropanamide
SMILESCC(C(=O)N(C)C1CCCCC1)C1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H34N2O2/c1-18(21(25)23(2)20-11-7-4-8-12-20)22(26)13-15-24(16-14-22)17-19-9-5-3-6-10-19/h3,5-6,9-10,18,20,26H,4,7-8,11-17H2,1-2H3
InChIKeyIGVFGDGPHHDASQ-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.44
Rot. Bonds5

About 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-cyclohexyl-N-methylpropanamide

2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-cyclohexyl-N-methylpropanamide (PubChem CID 13061433) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-cyclohexyl-N-methylpropanamide.

Molecular Properties

Compound Name2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-cyclohexyl-N-methylpropanamide
PubChem CID13061433
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-cyclohexyl-N-methylpropanamide
SMILESCC(C(=O)N(C)C1CCCCC1)C1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H34N2O2/c1-18(21(25)23(2)20-11-7-4-8-12-20)22(26)13-15-24(16-14-22)17-19-9-5-3-6-10-19/h3,5-6,9-10,18,20,26H,4,7-8,11-17H2,1-2H3
InChIKeyIGVFGDGPHHDASQ-UHFFFAOYSA-N
XLogP3.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-cyclohexyl-N-methylpropanamide?
The IUPAC name of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-cyclohexyl-N-methylpropanamide (CID 13061433) is 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-cyclohexyl-N-methylpropanamide.
What is the SMILES notation for 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-cyclohexyl-N-methylpropanamide?
The canonical SMILES for 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-cyclohexyl-N-methylpropanamide is CC(C(=O)N(C)C1CCCCC1)C1(O)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-cyclohexyl-N-methylpropanamide?
The InChIKey is IGVFGDGPHHDASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-18(21(25)23(2)20-11-7-4-8-12-20)22(26)13-15-24(16-14-22)17-19-9-5-3-6-10-19/h3,5-6,9-10,18,20,26H,4,7-8,11-17H2,1-2H3.
What are the key properties of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-cyclohexyl-N-methylpropanamide?
2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-cyclohexyl-N-methylpropanamide has a molecular weight of 358.53 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-cyclohexyl-N-methylpropanamide is sourced from PubChem (CID 13061433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).