2-(2-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid

C15H23NO5 — CID 103978462

IUPAC2-(2-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCCOC(=O)C1CCCCN1C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C15H23NO5/c1-2-21-15(20)12-8-3-4-9-16(12)13(17)10-6-5-7-11(10)14(18)19/h10-12H,2-9H2,1H3,(H,18,19)
InChIKeyKPVFZNOWDGWRIN-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.43
Rot. Bonds4

About 2-(2-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid

2-(2-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 103978462) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-(2-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID103978462
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name2-(2-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCCOC(=O)C1CCCCN1C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C15H23NO5/c1-2-21-15(20)12-8-3-4-9-16(12)13(17)10-6-5-7-11(10)14(18)19/h10-12H,2-9H2,1H3,(H,18,19)
InChIKeyKPVFZNOWDGWRIN-UHFFFAOYSA-N
XLogP1.43
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2-aminocyclohexanecarbonyl)piperidine-2-carboxylate
CID 64824198
ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate
CID 79002856
3-(2-ethoxycarbonylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3784777
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
CID 113331358
2-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 43213005
ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate
CID 81128745
ethyl 1-(4-methylpiperidine-2-carbonyl)piperidine-2-carboxylate
CID 114423535
ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate
CID 121255112
CID 59417753
CID 59417753
ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 78958335
2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977117
1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 22398183

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid (CID 103978462) is 2-(2-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid is CCOC(=O)C1CCCCN1C(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-(2-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is KPVFZNOWDGWRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-2-21-15(20)12-8-3-4-9-16(12)13(17)10-6-5-7-11(10)14(18)19/h10-12H,2-9H2,1H3,(H,18,19).
What are the key properties of 2-(2-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
2-(2-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).