2-(4-cyclohexyloxypiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide

C24H38N2O3 — CID 86873846

IUPAC2-(4-cyclohexyloxypiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
SMILESCC(OCCCNC(=O)CN1CCC(OC2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C24H38N2O3/c1-20(21-9-4-2-5-10-21)28-18-8-15-25-24(27)19-26-16-13-23(14-17-26)29-22-11-6-3-7-12-22/h2,4-5,9-10,20,22-23H,3,6-8,11-19H2,1H3,(H,25,27)
InChIKeyMOUIOEKGSNKZLS-UHFFFAOYSA-N
MW402.58 g/mol
LogP4.08
Rot. Bonds10

About 2-(4-cyclohexyloxypiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide

2-(4-cyclohexyloxypiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide (PubChem CID 86873846) has the molecular formula C24H38N2O3 and a molecular weight of 402.58 g/mol. Its IUPAC name is 2-(4-cyclohexyloxypiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclohexyloxypiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
PubChem CID86873846
Molecular FormulaC24H38N2O3
Molecular Weight402.58 g/mol
Exact Mass402.29
IUPAC Name2-(4-cyclohexyloxypiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
SMILESCC(OCCCNC(=O)CN1CCC(OC2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C24H38N2O3/c1-20(21-9-4-2-5-10-21)28-18-8-15-25-24(27)19-26-16-13-23(14-17-26)29-22-11-6-3-7-12-22/h2,4-5,9-10,20,22-23H,3,6-8,11-19H2,1H3,(H,25,27)
InChIKeyMOUIOEKGSNKZLS-UHFFFAOYSA-N
XLogP4.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid
CID 119907220
1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907219
methyl 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylate
CID 87012839
2-(3-acetamidopiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 87017788
N-[2-(3-chlorophenoxy)ethyl]-2-(4-cyclohexyloxypiperidin-1-yl)acetamide
CID 86873849
ethyl 3-[3-(1-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate
CID 134048726
1-cyclohexyl-3-[3-[(1S)-1-phenylethoxy]propyl]thiourea
CID 8559793
2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride
CID 119693834
N-cyclohexyl-3-[[N'-methyl-N-[3-(1-phenylethoxy)propyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111403532
N-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 110883979
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 86920482
(1S,6R)-9-methyl-N-[3-[(1R)-1-phenylethoxy]propyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 95908517

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyloxypiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide?
The IUPAC name of 2-(4-cyclohexyloxypiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide (CID 86873846) is 2-(4-cyclohexyloxypiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide.
What is the SMILES notation for 2-(4-cyclohexyloxypiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide?
The canonical SMILES for 2-(4-cyclohexyloxypiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide is CC(OCCCNC(=O)CN1CCC(OC2CCCCC2)CC1)c1ccccc1.
What is the InChIKey of 2-(4-cyclohexyloxypiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide?
The InChIKey is MOUIOEKGSNKZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O3/c1-20(21-9-4-2-5-10-21)28-18-8-15-25-24(27)19-26-16-13-23(14-17-26)29-22-11-6-3-7-12-22/h2,4-5,9-10,20,22-23H,3,6-8,11-19H2,1H3,(H,25,27).
What are the key properties of 2-(4-cyclohexyloxypiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide?
2-(4-cyclohexyloxypiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide has a molecular weight of 402.58 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyloxypiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide is sourced from PubChem (CID 86873846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).