4-[3-(3-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboxylic acid

C17H28N2O5 — CID 166771606

IUPAC4-[3-(3-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboxylic acid
SMILESCCOC(=O)C1CCCN(C(=O)CCC2CCN(C(=O)O)CC2)C1
InChIInChI=1S/C17H28N2O5/c1-2-24-16(21)14-4-3-9-19(12-14)15(20)6-5-13-7-10-18(11-8-13)17(22)23/h13-14H,2-12H2,1H3,(H,22,23)
InChIKeyVNKURTGKUFWTHA-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.96
Rot. Bonds5

About 4-[3-(3-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboxylic acid

4-[3-(3-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboxylic acid (PubChem CID 166771606) has the molecular formula C17H28N2O5 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-[3-(3-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(3-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboxylic acid
PubChem CID166771606
Molecular FormulaC17H28N2O5
Molecular Weight340.42 g/mol
Exact Mass340.20
IUPAC Name4-[3-(3-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboxylic acid
SMILESCCOC(=O)C1CCCN(C(=O)CCC2CCN(C(=O)O)CC2)C1
InChIInChI=1S/C17H28N2O5/c1-2-24-16(21)14-4-3-9-19(12-14)15(20)6-5-13-7-10-18(11-8-13)17(22)23/h13-14H,2-12H2,1H3,(H,22,23)
InChIKeyVNKURTGKUFWTHA-UHFFFAOYSA-N
XLogP1.96
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(3-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551
ethyl 1-hexanoylpiperidine-3-carboxylate
CID 43409441
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
ethyl (3S)-1-nonanoylpiperidine-3-carboxylate
CID 81338255
methyl 1-(3-cyclopentylpropanoyl)piperidine-3-carboxylate
CID 78919049
ethyl 1-(3-propoxypropanoyl)piperidine-3-carboxylate
CID 62716842
ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate
CID 81344595
1-(4-ethoxy-4-oxobutanoyl)piperidine-3-carboxylic acid
CID 43355863
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid
CID 60662012
ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylate
CID 78914745
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[3-(3-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboxylic acid (CID 166771606) is 4-[3-(3-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-(3-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-(3-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboxylic acid is CCOC(=O)C1CCCN(C(=O)CCC2CCN(C(=O)O)CC2)C1.
What is the InChIKey of 4-[3-(3-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboxylic acid?
The InChIKey is VNKURTGKUFWTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5/c1-2-24-16(21)14-4-3-9-19(12-14)15(20)6-5-13-7-10-18(11-8-13)17(22)23/h13-14H,2-12H2,1H3,(H,22,23).
What are the key properties of 4-[3-(3-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboxylic acid?
4-[3-(3-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 166771606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).