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

C14H23NO4 — CID 103517416

IUPACmethyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CC2(OC)CCC2)CC1
InChIInChI=1S/C14H23NO4/c1-18-13(17)11-4-8-15(9-5-11)12(16)10-14(19-2)6-3-7-14/h11H,3-10H2,1-2H3
InChIKeyVKBWXBPINQHEHT-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.36
Rot. Bonds4

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

methyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate (PubChem CID 103517416) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate
PubChem CID103517416
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Namemethyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CC2(OC)CCC2)CC1
InChIInChI=1S/C14H23NO4/c1-18-13(17)11-4-8-15(9-5-11)12(16)10-14(19-2)6-3-7-14/h11H,3-10H2,1-2H3
InChIKeyVKBWXBPINQHEHT-UHFFFAOYSA-N
XLogP1.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate (CID 103517416) is methyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CC2(OC)CCC2)CC1.
What is the InChIKey of methyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate?
The InChIKey is VKBWXBPINQHEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-18-13(17)11-4-8-15(9-5-11)12(16)10-14(19-2)6-3-7-14/h11H,3-10H2,1-2H3.
What are the key properties of methyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate?
methyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 103517416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).