1-[(3-methoxypiperidin-1-yl)methyl]cyclopentane-1-carboxylic acid

C13H23NO3 — CID 102967450

IUPAC1-[(3-methoxypiperidin-1-yl)methyl]cyclopentane-1-carboxylic acid
SMILESCOC1CCCN(CC2(C(=O)O)CCCC2)C1
InChIInChI=1S/C13H23NO3/c1-17-11-5-4-8-14(9-11)10-13(12(15)16)6-2-3-7-13/h11H,2-10H2,1H3,(H,15,16)
InChIKeyYASZGKTZDGNKEO-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.74
Rot. Bonds4

About 1-[(3-methoxypiperidin-1-yl)methyl]cyclopentane-1-carboxylic acid

1-[(3-methoxypiperidin-1-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 102967450) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[(3-methoxypiperidin-1-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxypiperidin-1-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID102967450
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-[(3-methoxypiperidin-1-yl)methyl]cyclopentane-1-carboxylic acid
SMILESCOC1CCCN(CC2(C(=O)O)CCCC2)C1
InChIInChI=1S/C13H23NO3/c1-17-11-5-4-8-14(9-11)10-13(12(15)16)6-2-3-7-13/h11H,2-10H2,1H3,(H,15,16)
InChIKeyYASZGKTZDGNKEO-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

3-[(3-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 102967452
2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid
CID 102968613
1-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 102963018
1-[(4-methylazepan-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 63622664
2-(3-methoxypiperidin-1-yl)-N-methylacetamide
CID 130708427
1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 79170953
N-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 102967390
4-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]morpholine
CID 84592709
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 115562002
1-(piperidin-1-ylmethyl)cyclobutane-1-carboxylic acid
CID 83831372
1-[(3-ethylpyrrolidin-3-yl)methyl]-3-methoxypiperidine
CID 102963677
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclopropane-1-carboxylic acid
CID 116999387

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxypiperidin-1-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-methoxypiperidin-1-yl)methyl]cyclopentane-1-carboxylic acid (CID 102967450) is 1-[(3-methoxypiperidin-1-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxypiperidin-1-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methoxypiperidin-1-yl)methyl]cyclopentane-1-carboxylic acid is COC1CCCN(CC2(C(=O)O)CCCC2)C1.
What is the InChIKey of 1-[(3-methoxypiperidin-1-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is YASZGKTZDGNKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-17-11-5-4-8-14(9-11)10-13(12(15)16)6-2-3-7-13/h11H,2-10H2,1H3,(H,15,16).
What are the key properties of 1-[(3-methoxypiperidin-1-yl)methyl]cyclopentane-1-carboxylic acid?
1-[(3-methoxypiperidin-1-yl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxypiperidin-1-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 102967450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).