2-(3-propoxypiperidin-1-yl)cyclobutane-1-carboxylic acid

C13H23NO3 — CID 80996695

IUPAC2-(3-propoxypiperidin-1-yl)cyclobutane-1-carboxylic acid
SMILESCCCOC1CCCN(C2CCC2C(=O)O)C1
InChIInChI=1S/C13H23NO3/c1-2-8-17-10-4-3-7-14(9-10)12-6-5-11(12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyYLPMJJFKSDQTSB-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.74
Rot. Bonds5

About 2-(3-propoxypiperidin-1-yl)cyclobutane-1-carboxylic acid

2-(3-propoxypiperidin-1-yl)cyclobutane-1-carboxylic acid (PubChem CID 80996695) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(3-propoxypiperidin-1-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-propoxypiperidin-1-yl)cyclobutane-1-carboxylic acid
PubChem CID80996695
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-(3-propoxypiperidin-1-yl)cyclobutane-1-carboxylic acid
SMILESCCCOC1CCCN(C2CCC2C(=O)O)C1
InChIInChI=1S/C13H23NO3/c1-2-8-17-10-4-3-7-14(9-10)12-6-5-11(12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyYLPMJJFKSDQTSB-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-propoxypiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 63075439
N-[[2-(3-propoxypiperidin-1-yl)cyclobutyl]methyl]ethanamine
CID 80997543
2-(4-propoxyazepane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 119184663
2-(3-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid
CID 80996172
1-(methylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79651259
cis-(1R,3S)-3-[(3-propoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106319520
2-(4-ethylazepan-1-yl)cyclobutane-1-carboxylic acid
CID 80995975
3-(3-propoxypiperidin-1-yl)cyclopentan-1-amine
CID 79469566
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
4-(3-propoxypiperidin-1-yl)cyclohexan-1-amine
CID 62806391
(4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone
CID 116654904
2-amino-1-(3-propoxypiperidin-1-yl)butan-1-one
CID 61169570

Frequently Asked Questions

What is the IUPAC name of 2-(3-propoxypiperidin-1-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(3-propoxypiperidin-1-yl)cyclobutane-1-carboxylic acid (CID 80996695) is 2-(3-propoxypiperidin-1-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(3-propoxypiperidin-1-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(3-propoxypiperidin-1-yl)cyclobutane-1-carboxylic acid is CCCOC1CCCN(C2CCC2C(=O)O)C1.
What is the InChIKey of 2-(3-propoxypiperidin-1-yl)cyclobutane-1-carboxylic acid?
The InChIKey is YLPMJJFKSDQTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-8-17-10-4-3-7-14(9-10)12-6-5-11(12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-(3-propoxypiperidin-1-yl)cyclobutane-1-carboxylic acid?
2-(3-propoxypiperidin-1-yl)cyclobutane-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propoxypiperidin-1-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 80996695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).