5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid

C13H23NO4 — CID 118951815

IUPAC5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid
SMILESCCOC(=O)C1CCN(CCCCC(=O)O)CC1
InChIInChI=1S/C13H23NO4/c1-2-18-13(17)11-6-9-14(10-7-11)8-4-3-5-12(15)16/h11H,2-10H2,1H3,(H,15,16)
InChIKeyADWBSTVLDQPCOH-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.52
Rot. Bonds7

About 5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid

5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid (PubChem CID 118951815) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid
PubChem CID118951815
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid
SMILESCCOC(=O)C1CCN(CCCCC(=O)O)CC1
InChIInChI=1S/C13H23NO4/c1-2-18-13(17)11-6-9-14(10-7-11)8-4-3-5-12(15)16/h11H,2-10H2,1H3,(H,15,16)
InChIKeyADWBSTVLDQPCOH-UHFFFAOYSA-N
XLogP1.52
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-heptylpiperidine-4-carboxylate
CID 11777142
1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid
CID 172515768
4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]butanoic acid
CID 62027456
ethyl 1-(2-aminoethyl)piperidine-4-carboxylate;dihydrochloride
CID 46172885
ethyl 1-(4,4,4-trifluorobutyl)piperidine-4-carboxylate
CID 115518003
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
ethyl 1-(3-azidopropyl)piperidine-4-carboxylate
CID 61396666
ethyl 1-[2-(4-iodopiperazin-1-yl)ethyl]piperidine-4-carboxylate
CID 144962699
ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate
CID 59334005
ethyl 1-[2-(ethylamino)ethyl]piperidine-4-carboxylate
CID 61386620
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid?
The IUPAC name of 5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid (CID 118951815) is 5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid.
What is the SMILES notation for 5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid?
The canonical SMILES for 5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid is CCOC(=O)C1CCN(CCCCC(=O)O)CC1.
What is the InChIKey of 5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid?
The InChIKey is ADWBSTVLDQPCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-2-18-13(17)11-6-9-14(10-7-11)8-4-3-5-12(15)16/h11H,2-10H2,1H3,(H,15,16).
What are the key properties of 5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid?
5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid is sourced from PubChem (CID 118951815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).