ethyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate

C15H25NO4 — CID 103517368

IUPACethyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC2(OC)CCC2)CC1
InChIInChI=1S/C15H25NO4/c1-3-20-14(18)12-5-9-16(10-6-12)13(17)11-15(19-2)7-4-8-15/h12H,3-11H2,1-2H3
InChIKeyKDDDKOQSUOIXDE-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.75
Rot. Bonds5

About ethyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate (PubChem CID 103517368) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate
PubChem CID103517368
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Nameethyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC2(OC)CCC2)CC1
InChIInChI=1S/C15H25NO4/c1-3-20-14(18)12-5-9-16(10-6-12)13(17)11-15(19-2)7-4-8-15/h12H,3-11H2,1-2H3
InChIKeyKDDDKOQSUOIXDE-UHFFFAOYSA-N
XLogP1.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-(3-ethoxypropanoyl)piperidine-4-carboxylate
CID 2973332
4-Hydroxy-1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylic acid
CID 120687957
Methyl 1-[3-(2-methoxyethoxy)propanoyl]piperidine-4-carboxylate
CID 20583450
Tert-butyl 3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 22594625
(S)-1-Boc-3-(2-ethoxy-2-oxoethyl)piperidine
CID 29919086
(R)-1-Boc-3-piperidine acetate ethyl ester
CID 29919087
Tert-butyl 1-(3-methoxy-3-oxopropanoyl)piperidine-4-carboxylate
CID 58898915
Methyl 1-[3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropanoyl]piperidine-4-carboxylate
CID 142057086
Ethyl 1-(cyclobutanecarbonyl)piperidine-4-carboxylate
CID 43404255
Ethyl 1-hexanoylpiperidine-4-carboxylate
CID 43409429
Ethyl 3-(1-acetylpiperidin-4-yl)-3-oxopropanoate
CID 50999898
1-(3-Ethoxypropanoyl)piperidine-4-carboxylic acid
CID 53211434

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate (CID 103517368) is ethyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CC2(OC)CCC2)CC1.
What is the InChIKey of ethyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate?
The InChIKey is KDDDKOQSUOIXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-3-20-14(18)12-5-9-16(10-6-12)13(17)11-15(19-2)7-4-8-15/h12H,3-11H2,1-2H3.
What are the key properties of ethyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 103517368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).