2-[3-(cyclohexanecarbonyl)piperidin-1-yl]-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone

C22H37N2O5- — CID 163128493

IUPAC2-[3-(cyclohexanecarbonyl)piperidin-1-yl]-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone
SMILESCCOC1CCC(C(=O)CN2CCCC(C(=O)C3CCCCC3)C2)CC1N([O-])O
InChIInChI=1S/C22H37N2O5/c1-2-29-21-11-10-17(13-19(21)24(27)28)20(25)15-23-12-6-9-18(14-23)22(26)16-7-4-3-5-8-16/h16-19,21,27H,2-15H2,1H3/q-1
InChIKeyFCNXITUFAIMIKO-UHFFFAOYSA-N
MW409.55 g/mol
LogP3.18
Rot. Bonds8

About 2-[3-(cyclohexanecarbonyl)piperidin-1-yl]-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone

2-[3-(cyclohexanecarbonyl)piperidin-1-yl]-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone (PubChem CID 163128493) has the molecular formula C22H37N2O5- and a molecular weight of 409.55 g/mol. Its IUPAC name is 2-[3-(cyclohexanecarbonyl)piperidin-1-yl]-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone.

Molecular Properties

Compound Name2-[3-(cyclohexanecarbonyl)piperidin-1-yl]-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone
PubChem CID163128493
Molecular FormulaC22H37N2O5-
Molecular Weight409.55 g/mol
Exact Mass409.27
IUPAC Name2-[3-(cyclohexanecarbonyl)piperidin-1-yl]-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone
SMILESCCOC1CCC(C(=O)CN2CCCC(C(=O)C3CCCCC3)C2)CC1N([O-])O
InChIInChI=1S/C22H37N2O5/c1-2-29-21-11-10-17(13-19(21)24(27)28)20(25)15-23-12-6-9-18(14-23)22(26)16-7-4-3-5-8-16/h16-19,21,27H,2-15H2,1H3/q-1
InChIKeyFCNXITUFAIMIKO-UHFFFAOYSA-N
XLogP3.18
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[3-(cyclohexanecarbonyl)piperidin-1-yl]-1-[4-ethoxy-3-[hydroxy(oxido)amino]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

2-(2,4-dimethylpiperidin-1-yl)-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone
CID 163124821
1-[3-[hydroxy(oxido)amino]-4-iodocyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone
CID 163164379
1-[4-[hydroxy(oxido)amino]cyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone
CID 163171818
ethyl 1-[2-[[2,4-bis[hydroxy(oxido)amino]cyclohexyl]hydrazinylidene]-2-(4-iodocyclohexyl)ethyl]piperidine-3-carboxylate
CID 163119148
1-(3-ethoxypiperidin-1-yl)butan-2-one
CID 62040575
1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385879
1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone
CID 63914299
1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one
CID 107507197
methyl 1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylate
CID 53421319
1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid
CID 170458411
2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid
CID 52903753
methyl (3S)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 79037821

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexanecarbonyl)piperidin-1-yl]-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone?
The IUPAC name of 2-[3-(cyclohexanecarbonyl)piperidin-1-yl]-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone (CID 163128493) is 2-[3-(cyclohexanecarbonyl)piperidin-1-yl]-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone.
What is the SMILES notation for 2-[3-(cyclohexanecarbonyl)piperidin-1-yl]-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone?
The canonical SMILES for 2-[3-(cyclohexanecarbonyl)piperidin-1-yl]-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone is CCOC1CCC(C(=O)CN2CCCC(C(=O)C3CCCCC3)C2)CC1N([O-])O.
What is the InChIKey of 2-[3-(cyclohexanecarbonyl)piperidin-1-yl]-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone?
The InChIKey is FCNXITUFAIMIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N2O5/c1-2-29-21-11-10-17(13-19(21)24(27)28)20(25)15-23-12-6-9-18(14-23)22(26)16-7-4-3-5-8-16/h16-19,21,27H,2-15H2,1H3/q-1.
What are the key properties of 2-[3-(cyclohexanecarbonyl)piperidin-1-yl]-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone?
2-[3-(cyclohexanecarbonyl)piperidin-1-yl]-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone has a molecular weight of 409.55 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexanecarbonyl)piperidin-1-yl]-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone is sourced from PubChem (CID 163128493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).