2-[1-(3-methoxy-3-methylbutanoyl)piperidin-2-yl]cyclopentan-1-one

C16H27NO3 — CID 103020598

IUPAC2-[1-(3-methoxy-3-methylbutanoyl)piperidin-2-yl]cyclopentan-1-one
SMILESCOC(C)(C)CC(=O)N1CCCCC1C1CCCC1=O
InChIInChI=1S/C16H27NO3/c1-16(2,20-3)11-15(19)17-10-5-4-8-13(17)12-7-6-9-14(12)18/h12-13H,4-11H2,1-3H3
InChIKeyFMJHOXFNSOVEHB-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.55
Rot. Bonds4

About 2-[1-(3-methoxy-3-methylbutanoyl)piperidin-2-yl]cyclopentan-1-one

2-[1-(3-methoxy-3-methylbutanoyl)piperidin-2-yl]cyclopentan-1-one (PubChem CID 103020598) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[1-(3-methoxy-3-methylbutanoyl)piperidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(3-methoxy-3-methylbutanoyl)piperidin-2-yl]cyclopentan-1-one
PubChem CID103020598
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[1-(3-methoxy-3-methylbutanoyl)piperidin-2-yl]cyclopentan-1-one
SMILESCOC(C)(C)CC(=O)N1CCCCC1C1CCCC1=O
InChIInChI=1S/C16H27NO3/c1-16(2,20-3)11-15(19)17-10-5-4-8-13(17)12-7-6-9-14(12)18/h12-13H,4-11H2,1-3H3
InChIKeyFMJHOXFNSOVEHB-UHFFFAOYSA-N
XLogP2.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3-methoxy-3-methylbutanoyl)piperidin-2-yl]cyclopentan-1-one 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-(1-butanoylpiperidin-2-yl)cyclopentan-1-one
CID 79545289
2-[1-(2-methylsulfanylacetyl)piperidin-2-yl]cyclopentan-1-one
CID 79544925
2-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-2-yl]cyclopentan-1-one
CID 103556715
2-(1-hexanoylpiperidin-2-yl)cyclohexan-1-one
CID 79553408
2-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79539486
2-[1-(3-methylsulfanylpropanoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79547559
2-[1-(2-cyclobutylacetyl)piperidin-2-yl]cyclohexan-1-one
CID 103163775
2-(1-octanoylpyrrolidin-2-yl)cyclopentan-1-one
CID 79548429
3-methoxy-3-methyl-1-(2-piperidin-4-ylpyrrolidin-1-yl)butan-1-one
CID 103019657
(2S)-2-[(2R)-1-(2-cyclobutylacetyl)azepan-2-yl]cyclohexan-1-one
CID 124887668
2-(1-octanoylpyrrolidin-2-yl)cyclohexan-1-one
CID 79539477
2-methylpropyl 2-(2-oxocyclopentyl)piperidine-1-carboxylate
CID 79544850

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxy-3-methylbutanoyl)piperidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(3-methoxy-3-methylbutanoyl)piperidin-2-yl]cyclopentan-1-one (CID 103020598) is 2-[1-(3-methoxy-3-methylbutanoyl)piperidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(3-methoxy-3-methylbutanoyl)piperidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(3-methoxy-3-methylbutanoyl)piperidin-2-yl]cyclopentan-1-one is COC(C)(C)CC(=O)N1CCCCC1C1CCCC1=O.
What is the InChIKey of 2-[1-(3-methoxy-3-methylbutanoyl)piperidin-2-yl]cyclopentan-1-one?
The InChIKey is FMJHOXFNSOVEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-16(2,20-3)11-15(19)17-10-5-4-8-13(17)12-7-6-9-14(12)18/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-[1-(3-methoxy-3-methylbutanoyl)piperidin-2-yl]cyclopentan-1-one?
2-[1-(3-methoxy-3-methylbutanoyl)piperidin-2-yl]cyclopentan-1-one has a molecular weight of 281.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxy-3-methylbutanoyl)piperidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 103020598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).