2-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-2-yl]cyclopentan-1-one

C17H27NO3 — CID 103556715

IUPAC2-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-2-yl]cyclopentan-1-one
SMILESCOC1(CC(=O)N2CCCCC2C2CCCC2=O)CCC1
InChIInChI=1S/C17H27NO3/c1-21-17(9-5-10-17)12-16(20)18-11-3-2-7-14(18)13-6-4-8-15(13)19/h13-14H,2-12H2,1H3
InChIKeyPINGOJLZYCPHOX-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.70
Rot. Bonds4

About 2-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-2-yl]cyclopentan-1-one

2-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-2-yl]cyclopentan-1-one (PubChem CID 103556715) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-2-yl]cyclopentan-1-one
PubChem CID103556715
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-2-yl]cyclopentan-1-one
SMILESCOC1(CC(=O)N2CCCCC2C2CCCC2=O)CCC1
InChIInChI=1S/C17H27NO3/c1-21-17(9-5-10-17)12-16(20)18-11-3-2-7-14(18)13-6-4-8-15(13)19/h13-14H,2-12H2,1H3
InChIKeyPINGOJLZYCPHOX-UHFFFAOYSA-N
XLogP2.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-cyclobutylacetyl)piperidin-2-yl]cyclohexan-1-one
CID 103163775
2-[1-(3-methoxy-3-methylbutanoyl)piperidin-2-yl]cyclopentan-1-one
CID 103020598
(2S)-2-[(2R)-1-(2-cyclobutylacetyl)azepan-2-yl]cyclohexan-1-one
CID 124887668
2-(1-hexanoylpiperidin-2-yl)cyclohexan-1-one
CID 79553408
2-[1-(3-methylsulfanylpropanoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79547559
2-(1-octanoylpyrrolidin-2-yl)cyclopentan-1-one
CID 79548429
1-[2-(chloromethyl)pyrrolidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
CID 103558180
2-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79539486
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-[2-(1-methoxycyclobutyl)acetyl]piperidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-2-yl]cyclopentan-1-one (CID 103556715) is 2-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-2-yl]cyclopentan-1-one is COC1(CC(=O)N2CCCCC2C2CCCC2=O)CCC1.
What is the InChIKey of 2-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-2-yl]cyclopentan-1-one?
The InChIKey is PINGOJLZYCPHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-21-17(9-5-10-17)12-16(20)18-11-3-2-7-14(18)13-6-4-8-15(13)19/h13-14H,2-12H2,1H3.
What are the key properties of 2-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-2-yl]cyclopentan-1-one?
2-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-2-yl]cyclopentan-1-one has a molecular weight of 293.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 103556715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).