1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid

C14H23NO3 — CID 116874997

IUPAC1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid
SMILESCN1CCC(C2(C3(C(=O)O)CCC3)COC2)CC1
InChIInChI=1S/C14H23NO3/c1-15-7-3-11(4-8-15)14(9-18-10-14)13(12(16)17)5-2-6-13/h11H,2-10H2,1H3,(H,16,17)
InChIKeySHSSHQKGYQTVOZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.60
Rot. Bonds3

About 1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid

1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid (PubChem CID 116874997) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid
PubChem CID116874997
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid
SMILESCN1CCC(C2(C3(C(=O)O)CCC3)COC2)CC1
InChIInChI=1S/C14H23NO3/c1-15-7-3-11(4-8-15)14(9-18-10-14)13(12(16)17)5-2-6-13/h11H,2-10H2,1H3,(H,16,17)
InChIKeySHSSHQKGYQTVOZ-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid 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

1-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid
CID 116874999
N-methyl-1-[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutyl]methanamine
CID 116874978
[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874838
methyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate
CID 116875046
3-(1-methylpiperidin-4-yl)oxetane-3-thiol
CID 116872942
[1-(1-methylpiperidin-4-yl)cyclobutyl]methanol
CID 116963830
1-(1-cyclohexylcyclohexyl)cyclohexane-1-carboxylic acid
CID 19981685
3-[(1-methylpiperidin-4-yl)carbamoyl]oxetane-3-carboxylic acid
CID 115184923
3-[methylamino-(1-methylpiperidin-4-yl)methyl]oxetane-3-carboxylic acid
CID 116959390
1-[methylamino-(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylic acid
CID 116958981
1-(1-methylpiperidin-4-yl)cyclopropane-1,2-dicarboxylic acid
CID 116858030
3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carboxylic acid
CID 115248494

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid (CID 116874997) is 1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid is CN1CCC(C2(C3(C(=O)O)CCC3)COC2)CC1.
What is the InChIKey of 1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid?
The InChIKey is SHSSHQKGYQTVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-15-7-3-11(4-8-15)14(9-18-10-14)13(12(16)17)5-2-6-13/h11H,2-10H2,1H3,(H,16,17).
What are the key properties of 1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid?
1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 116874997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).