1-[4-[4-[(4-methoxypiperidin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone

C21H36N2O3 — CID 176683725

IUPAC1-[4-[4-[(4-methoxypiperidin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
SMILESCOC1CCN(CC2CCN(C(=O)C3CCC(C(C)=O)CC3)CC2)CC1
InChIInChI=1S/C21H36N2O3/c1-16(24)18-3-5-19(6-4-18)21(25)23-13-7-17(8-14-23)15-22-11-9-20(26-2)10-12-22/h17-20H,3-15H2,1-2H3
InChIKeyOSFBJLICQHGZGI-UHFFFAOYSA-N
MW364.53 g/mol
LogP2.73
Rot. Bonds5

About 1-[4-[4-[(4-methoxypiperidin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone

1-[4-[4-[(4-methoxypiperidin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone (PubChem CID 176683725) has the molecular formula C21H36N2O3 and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-[4-[4-[(4-methoxypiperidin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(4-methoxypiperidin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
PubChem CID176683725
Molecular FormulaC21H36N2O3
Molecular Weight364.53 g/mol
Exact Mass364.27
IUPAC Name1-[4-[4-[(4-methoxypiperidin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
SMILESCOC1CCN(CC2CCN(C(=O)C3CCC(C(C)=O)CC3)CC2)CC1
InChIInChI=1S/C21H36N2O3/c1-16(24)18-3-5-19(6-4-18)21(25)23-13-7-17(8-14-23)15-22-11-9-20(26-2)10-12-22/h17-20H,3-15H2,1-2H3
InChIKeyOSFBJLICQHGZGI-UHFFFAOYSA-N
XLogP2.73
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-[(4-methoxypiperidin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-[hydroxy-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]methyl]cyclohexyl]ethanone
CID 176683672
1-[4-[4-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
CID 176683548
(4-hydroxypiperidin-1-yl)-(4-methoxycyclohexyl)methanone
CID 112531209
azepan-1-yl-(4-methoxycyclohexyl)methanone
CID 112530492
1-[4-[3-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexyl]ethanone
CID 176683929
cyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
CID 91919810
cyclopropyl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 60773958
ethane;1-[4-[4-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
CID 176683765
ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 176683952
[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 167480597
3-(4-methoxypiperidine-1-carbonyl)cyclobutan-1-one
CID 171109226
(4-butylcyclohexyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616537

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(4-methoxypiperidin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone?
The IUPAC name of 1-[4-[4-[(4-methoxypiperidin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone (CID 176683725) is 1-[4-[4-[(4-methoxypiperidin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone.
What is the SMILES notation for 1-[4-[4-[(4-methoxypiperidin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone?
The canonical SMILES for 1-[4-[4-[(4-methoxypiperidin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone is COC1CCN(CC2CCN(C(=O)C3CCC(C(C)=O)CC3)CC2)CC1.
What is the InChIKey of 1-[4-[4-[(4-methoxypiperidin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone?
The InChIKey is OSFBJLICQHGZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O3/c1-16(24)18-3-5-19(6-4-18)21(25)23-13-7-17(8-14-23)15-22-11-9-20(26-2)10-12-22/h17-20H,3-15H2,1-2H3.
What are the key properties of 1-[4-[4-[(4-methoxypiperidin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone?
1-[4-[4-[(4-methoxypiperidin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone has a molecular weight of 364.53 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(4-methoxypiperidin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone is sourced from PubChem (CID 176683725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).