1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone

C16H30N2O2 — CID 43225558

IUPAC1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCCCOC2CCCCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-14(19)18-11-8-15(9-12-18)17-10-5-13-20-16-6-3-2-4-7-16/h15-17H,2-13H2,1H3
InChIKeyHAXCHLWBVWIZAY-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.33
Rot. Bonds6

About 1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone

1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone (PubChem CID 43225558) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone
PubChem CID43225558
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCCCOC2CCCCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-14(19)18-11-8-15(9-12-18)17-10-5-13-20-16-6-3-2-4-7-16/h15-17H,2-13H2,1H3
InChIKeyHAXCHLWBVWIZAY-UHFFFAOYSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclohexyloxypropyl)-1-methylpiperidin-4-amine
CID 28720054
tert-butyl (3R)-3-(3-cyclohexyloxypropylamino)pyrrolidine-1-carboxylate
CID 97236036
1-[4-[3-(2-hydroxyethoxy)propylamino]piperidin-1-yl]ethanone
CID 103992533
N-(3-cycloheptyloxypropyl)cyclohexanamine
CID 62583654
N-(3-cyclohexyloxypropyl)cyclopentanamine
CID 28720049
4-(2-cyclohexyloxyethylamino)piperidine-1-carboxamide
CID 63824782
1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone
CID 25219591
1-[4-(hexylamino)piperidin-1-yl]ethanone
CID 43222793
tert-butyl 4-[3-(cyclobutylamino)propoxy]piperidine-1-carboxylate
CID 107252410
4-[(1-acetylpiperidin-4-yl)amino]butanamide
CID 60864118
1-[4-(4-aminobutylamino)piperidin-1-yl]ethanone
CID 60894186
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(3-cyclohexyloxypropyl)-2-methylguanidine
CID 111398291

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone (CID 43225558) is 1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone is CC(=O)N1CCC(NCCCOC2CCCCC2)CC1.
What is the InChIKey of 1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone?
The InChIKey is HAXCHLWBVWIZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-14(19)18-11-8-15(9-12-18)17-10-5-13-20-16-6-3-2-4-7-16/h15-17H,2-13H2,1H3.
What are the key properties of 1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone?
1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone has a molecular weight of 282.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 43225558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).