1-(4-cyclopentyloxypiperidin-1-yl)-4-(methylamino)butan-1-one

C15H28N2O2 — CID 119765233

IUPAC1-(4-cyclopentyloxypiperidin-1-yl)-4-(methylamino)butan-1-one
SMILESCNCCCC(=O)N1CCC(OC2CCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-16-10-4-7-15(18)17-11-8-14(9-12-17)19-13-5-2-3-6-13/h13-14,16H,2-12H2,1H3
InChIKeyCIGDVMYTALIABZ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.94
Rot. Bonds6

About 1-(4-cyclopentyloxypiperidin-1-yl)-4-(methylamino)butan-1-one

1-(4-cyclopentyloxypiperidin-1-yl)-4-(methylamino)butan-1-one (PubChem CID 119765233) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(4-cyclopentyloxypiperidin-1-yl)-4-(methylamino)butan-1-one.

Molecular Properties

Compound Name1-(4-cyclopentyloxypiperidin-1-yl)-4-(methylamino)butan-1-one
PubChem CID119765233
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(4-cyclopentyloxypiperidin-1-yl)-4-(methylamino)butan-1-one
SMILESCNCCCC(=O)N1CCC(OC2CCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-16-10-4-7-15(18)17-11-8-14(9-12-17)19-13-5-2-3-6-13/h13-14,16H,2-12H2,1H3
InChIKeyCIGDVMYTALIABZ-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.94
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

4-(methylamino)-1-(4-methylpiperidin-1-yl)butan-1-one
CID 60649292
8-(methylamino)-1-(4-methylpiperidin-1-yl)octan-1-one
CID 143122837
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-(methylamino)butan-1-one
CID 54924244
4-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119806019
1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-(methylamino)butan-1-one;hydrochloride
CID 119743484
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(methylamino)butan-1-one
CID 54874514
4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one
CID 60841501
4-cyclopentyloxy-N-methylpiperidine-1-carboxamide
CID 71687221
4-(methylamino)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 60840946
1-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]-4-(methylamino)butan-1-one;dihydrochloride
CID 119896593
N-[1-[4-(methylamino)butanoyl]piperidin-4-yl]butanamide
CID 54871679
1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one
CID 62930046

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxypiperidin-1-yl)-4-(methylamino)butan-1-one?
The IUPAC name of 1-(4-cyclopentyloxypiperidin-1-yl)-4-(methylamino)butan-1-one (CID 119765233) is 1-(4-cyclopentyloxypiperidin-1-yl)-4-(methylamino)butan-1-one.
What is the SMILES notation for 1-(4-cyclopentyloxypiperidin-1-yl)-4-(methylamino)butan-1-one?
The canonical SMILES for 1-(4-cyclopentyloxypiperidin-1-yl)-4-(methylamino)butan-1-one is CNCCCC(=O)N1CCC(OC2CCCC2)CC1.
What is the InChIKey of 1-(4-cyclopentyloxypiperidin-1-yl)-4-(methylamino)butan-1-one?
The InChIKey is CIGDVMYTALIABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-16-10-4-7-15(18)17-11-8-14(9-12-17)19-13-5-2-3-6-13/h13-14,16H,2-12H2,1H3.
What are the key properties of 1-(4-cyclopentyloxypiperidin-1-yl)-4-(methylamino)butan-1-one?
1-(4-cyclopentyloxypiperidin-1-yl)-4-(methylamino)butan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyloxypiperidin-1-yl)-4-(methylamino)butan-1-one is sourced from PubChem (CID 119765233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).