1-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one

C21H36N2O3 — CID 91916306

IUPAC1-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(OC2CCN(C(=O)CC3CCCCC3)CC2)CC1
InChIInChI=1S/C21H36N2O3/c1-2-20(24)22-12-8-18(9-13-22)26-19-10-14-23(15-11-19)21(25)16-17-6-4-3-5-7-17/h17-19H,2-16H2,1H3
InChIKeyPNMJJOUDYSYCSQ-UHFFFAOYSA-N
MW364.53 g/mol
LogP3.37
Rot. Bonds5

About 1-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one

1-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one (PubChem CID 91916306) has the molecular formula C21H36N2O3 and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
PubChem CID91916306
Molecular FormulaC21H36N2O3
Molecular Weight364.53 g/mol
Exact Mass364.27
IUPAC Name1-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(OC2CCN(C(=O)CC3CCCCC3)CC2)CC1
InChIInChI=1S/C21H36N2O3/c1-2-20(24)22-12-8-18(9-13-22)26-19-10-14-23(15-11-19)21(25)16-17-6-4-3-5-7-17/h17-19H,2-16H2,1H3
InChIKeyPNMJJOUDYSYCSQ-UHFFFAOYSA-N
XLogP3.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one 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 1-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one (CID 91916306) is 1-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one is CCC(=O)N1CCC(OC2CCN(C(=O)CC3CCCCC3)CC2)CC1.
What is the InChIKey of 1-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one?
The InChIKey is PNMJJOUDYSYCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O3/c1-2-20(24)22-12-8-18(9-13-22)26-19-10-14-23(15-11-19)21(25)16-17-6-4-3-5-7-17/h17-19H,2-16H2,1H3.
What are the key properties of 1-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one?
1-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one has a molecular weight of 364.53 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 91916306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).