3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid

C15H23NO5 — CID 103549697

IUPAC3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCCOC(=O)C1CCN(C(=O)C2CCC(C(=O)O)C2)CC1
InChIInChI=1S/C15H23NO5/c1-2-21-15(20)10-5-7-16(8-6-10)13(17)11-3-4-12(9-11)14(18)19/h10-12H,2-9H2,1H3,(H,18,19)
InChIKeyZXAGBCUCCREPIY-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.29
Rot. Bonds4

About 3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid

3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 103549697) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID103549697
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCCOC(=O)C1CCN(C(=O)C2CCC(C(=O)O)C2)CC1
InChIInChI=1S/C15H23NO5/c1-2-21-15(20)10-5-7-16(8-6-10)13(17)11-3-4-12(9-11)14(18)19/h10-12H,2-9H2,1H3,(H,18,19)
InChIKeyZXAGBCUCCREPIY-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549686
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091996
3-[4-(ethylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 103550405
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
ethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate
CID 120983615
1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid
CID 167464338
1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid
CID 172515768
1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122013092
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
ethyl 1-(bicyclo[4.1.0]heptane-7-carbonyl)piperidine-4-carboxylate
CID 79140194
6-ethoxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid
CID 163840432

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid (CID 103549697) is 3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid is CCOC(=O)C1CCN(C(=O)C2CCC(C(=O)O)C2)CC1.
What is the InChIKey of 3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is ZXAGBCUCCREPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-2-21-15(20)10-5-7-16(8-6-10)13(17)11-3-4-12(9-11)14(18)19/h10-12H,2-9H2,1H3,(H,18,19).
What are the key properties of 3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103549697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).