1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-one

C12H19NO3 — CID 103520055

IUPAC1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-one
SMILESCOC1(CC(=O)N2CCC(=O)CC2)CCC1
InChIInChI=1S/C12H19NO3/c1-16-12(5-2-6-12)9-11(15)13-7-3-10(14)4-8-13/h2-9H2,1H3
InChIKeyMQBFZUMXLGJMPB-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.14
Rot. Bonds3

About 1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-one

1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-one (PubChem CID 103520055) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-one
PubChem CID103520055
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-one
SMILESCOC1(CC(=O)N2CCC(=O)CC2)CCC1
InChIInChI=1S/C12H19NO3/c1-16-12(5-2-6-12)9-11(15)13-7-3-10(14)4-8-13/h2-9H2,1H3
InChIKeyMQBFZUMXLGJMPB-UHFFFAOYSA-N
XLogP1.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Methoxy-3-methylbutanoyl)piperidin-4-one
CID 103020542
3-Methoxy-3-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one
CID 103020595
3-Ethyl-1-(3-methoxy-3-methylbutanoyl)piperidin-4-one
CID 103020623
2-(1-Methoxycyclobutyl)-1-piperidin-1-ylethanone
CID 103517322
1-(Azepan-1-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103517338
2-(1-Methoxycyclobutyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 103517340
2-(1-Methoxycyclobutyl)-1-pyrrolidin-1-ylethanone
CID 103517344
2-(1-Methoxycyclobutyl)-1-morpholin-4-ylethanone
CID 103517363
N,N-diethyl-2-(1-methoxycyclobutyl)acetamide
CID 103517364
Methyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate
CID 103517416
2-(1-methoxycyclobutyl)-N,N-dimethylacetamide
CID 103520052
1-(4-Hydroxypiperidin-1-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103520110

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-one?
The IUPAC name of 1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-one (CID 103520055) is 1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-one is COC1(CC(=O)N2CCC(=O)CC2)CCC1.
What is the InChIKey of 1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-one?
The InChIKey is MQBFZUMXLGJMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-16-12(5-2-6-12)9-11(15)13-7-3-10(14)4-8-13/h2-9H2,1H3.
What are the key properties of 1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-one?
1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-one has a molecular weight of 225.29 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-one is sourced from PubChem (CID 103520055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).