3-[1-[3-(1-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide

C23H36N2O2 — CID 11199610

IUPAC3-[1-[3-(1-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide
SMILESCC1CN(CCCC2(O)CCCCC2)CCC1(C)c1cccc(C(N)=O)c1
InChIInChI=1S/C23H36N2O2/c1-18-17-25(14-7-12-23(27)10-4-3-5-11-23)15-13-22(18,2)20-9-6-8-19(16-20)21(24)26/h6,8-9,16,18,27H,3-5,7,10-15,17H2,1-2H3,(H2,24,26)
InChIKeyLTENPJFSBSGWFV-UHFFFAOYSA-N
MW372.55 g/mol
LogP3.86
Rot. Bonds6

About 3-[1-[3-(1-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide

3-[1-[3-(1-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide (PubChem CID 11199610) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is 3-[1-[3-(1-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-[1-[3-(1-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide
PubChem CID11199610
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Name3-[1-[3-(1-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide
SMILESCC1CN(CCCC2(O)CCCCC2)CCC1(C)c1cccc(C(N)=O)c1
InChIInChI=1S/C23H36N2O2/c1-18-17-25(14-7-12-23(27)10-4-3-5-11-23)15-13-22(18,2)20-9-6-8-19(16-20)21(24)26/h6,8-9,16,18,27H,3-5,7,10-15,17H2,1-2H3,(H2,24,26)
InChIKeyLTENPJFSBSGWFV-UHFFFAOYSA-N
XLogP3.86
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-[3-(1-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(1-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide?
The IUPAC name of 3-[1-[3-(1-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide (CID 11199610) is 3-[1-[3-(1-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide.
What is the SMILES notation for 3-[1-[3-(1-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide?
The canonical SMILES for 3-[1-[3-(1-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide is CC1CN(CCCC2(O)CCCCC2)CCC1(C)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[1-[3-(1-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide?
The InChIKey is LTENPJFSBSGWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-18-17-25(14-7-12-23(27)10-4-3-5-11-23)15-13-22(18,2)20-9-6-8-19(16-20)21(24)26/h6,8-9,16,18,27H,3-5,7,10-15,17H2,1-2H3,(H2,24,26).
What are the key properties of 3-[1-[3-(1-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide?
3-[1-[3-(1-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide has a molecular weight of 372.55 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(1-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide is sourced from PubChem (CID 11199610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).