3-piperidin-4-yloxycyclobutane-1-carboxylic acid

C10H17NO3 — CID 123395248

IUPAC3-piperidin-4-yloxycyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(OC2CCNCC2)C1
InChIInChI=1S/C10H17NO3/c12-10(13)7-5-9(6-7)14-8-1-3-11-4-2-8/h7-9,11H,1-6H2,(H,12,13)
InChIKeyGLQLXMRKOCJBAH-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.62
Rot. Bonds3

About 3-piperidin-4-yloxycyclobutane-1-carboxylic acid

3-piperidin-4-yloxycyclobutane-1-carboxylic acid (PubChem CID 123395248) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-piperidin-4-yloxycyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-piperidin-4-yloxycyclobutane-1-carboxylic acid
PubChem CID123395248
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-piperidin-4-yloxycyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(OC2CCNCC2)C1
InChIInChI=1S/C10H17NO3/c12-10(13)7-5-9(6-7)14-8-1-3-11-4-2-8/h7-9,11H,1-6H2,(H,12,13)
InChIKeyGLQLXMRKOCJBAH-UHFFFAOYSA-N
XLogP0.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-piperidin-4-yloxycyclobutane-1-carboxylate
CID 146340071
4-(4-piperidin-4-yloxycyclohexyl)oxypiperidine
CID 165136805
4-[(1R,3R)-3-piperidin-4-yloxycyclopentyl]oxypiperidine
CID 165137114
4-piperidin-4-yloxypiperidine-1-carboxylic acid
CID 69156881
ethane;4-(3-ethylcyclobutyl)oxypiperidine
CID 176985395
(4S)-azepane-4-carboxylic acid
CID 59261053
dipiperidin-4-yl carbonate
CID 129132812
4-(azetidin-3-yloxy)piperidine;dihydrochloride
CID 155892166
(4R)-4-cyclobutyloxyazepane
CID 124508837
3-(3-piperidin-4-yloxypropanoylamino)cyclopentane-1-carboxylic acid
CID 66030555
(4-cyclopentyloxypiperidin-1-yl)-piperidin-4-ylmethanone
CID 119312944
trans-(1S,3S)-3-(2-methylcyclopropyl)oxycyclohexane-1-carboxylic acid
CID 155007700

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yloxycyclobutane-1-carboxylic acid?
The IUPAC name of 3-piperidin-4-yloxycyclobutane-1-carboxylic acid (CID 123395248) is 3-piperidin-4-yloxycyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-piperidin-4-yloxycyclobutane-1-carboxylic acid?
The canonical SMILES for 3-piperidin-4-yloxycyclobutane-1-carboxylic acid is O=C(O)C1CC(OC2CCNCC2)C1.
What is the InChIKey of 3-piperidin-4-yloxycyclobutane-1-carboxylic acid?
The InChIKey is GLQLXMRKOCJBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-10(13)7-5-9(6-7)14-8-1-3-11-4-2-8/h7-9,11H,1-6H2,(H,12,13).
What are the key properties of 3-piperidin-4-yloxycyclobutane-1-carboxylic acid?
3-piperidin-4-yloxycyclobutane-1-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yloxycyclobutane-1-carboxylic acid is sourced from PubChem (CID 123395248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).