4-[4-(3-ethoxy-3-oxopropyl)phenyl]-3-hydroxypiperidine-1-carboxylate

C17H22NO5- — CID 22128528

IUPAC4-[4-(3-ethoxy-3-oxopropyl)phenyl]-3-hydroxypiperidine-1-carboxylate
SMILESCCOC(=O)CCc1ccc(C2CCN(C(=O)[O-])CC2O)cc1
InChIInChI=1S/C17H23NO5/c1-2-23-16(20)8-5-12-3-6-13(7-4-12)14-9-10-18(17(21)22)11-15(14)19/h3-4,6-7,14-15,19H,2,5,8-11H2,1H3,(H,21,22)/p-1
InChIKeyAGIZCSRKVDPIGD-UHFFFAOYSA-M
MW320.37 g/mol
LogP0.68
Rot. Bonds5

About 4-[4-(3-ethoxy-3-oxopropyl)phenyl]-3-hydroxypiperidine-1-carboxylate

4-[4-(3-ethoxy-3-oxopropyl)phenyl]-3-hydroxypiperidine-1-carboxylate (PubChem CID 22128528) has the molecular formula C17H22NO5- and a molecular weight of 320.37 g/mol. Its IUPAC name is 4-[4-(3-ethoxy-3-oxopropyl)phenyl]-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Name4-[4-(3-ethoxy-3-oxopropyl)phenyl]-3-hydroxypiperidine-1-carboxylate
PubChem CID22128528
Molecular FormulaC17H22NO5-
Molecular Weight320.37 g/mol
Exact Mass320.15
IUPAC Name4-[4-(3-ethoxy-3-oxopropyl)phenyl]-3-hydroxypiperidine-1-carboxylate
SMILESCCOC(=O)CCc1ccc(C2CCN(C(=O)[O-])CC2O)cc1
InChIInChI=1S/C17H23NO5/c1-2-23-16(20)8-5-12-3-6-13(7-4-12)14-9-10-18(17(21)22)11-15(14)19/h3-4,6-7,14-15,19H,2,5,8-11H2,1H3,(H,21,22)/p-1
InChIKeyAGIZCSRKVDPIGD-UHFFFAOYSA-M
XLogP0.68
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(3-ethoxy-3-oxopropyl)phenyl]-3-hydroxypiperidine-1-carboxylate 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 3-[4-(3-hydroxypiperidin-4-yl)phenyl]propanoate
CID 70124953
ethyl 3-[4-(azepan-1-yl)phenyl]propanoate
CID 59859896
3-hydroxy-4-[4-[3-(3-methoxyphenoxy)propoxy]phenyl]piperidine-1-carboxylate
CID 22127932
ethyl 3-[4-(methylaminomethyl)phenyl]propanoate
CID 164606778
ethyl 1-[3-(4-iodophenyl)propanoyl]piperidine-4-carboxylate
CID 71514462
ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 35763528
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
ethyl 3-(4-ethylsulfonylphenyl)propanoate
CID 71283935
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 103900134
[4-(3-ethoxy-3-oxopropyl)phenoxy]boronic acid
CID 67296509
tert-butyl 2-[4-[4-(3-ethoxy-3-oxopropyl)phenyl]phenyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 166779655
ethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate
CID 106668262

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-ethoxy-3-oxopropyl)phenyl]-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of 4-[4-(3-ethoxy-3-oxopropyl)phenyl]-3-hydroxypiperidine-1-carboxylate (CID 22128528) is 4-[4-(3-ethoxy-3-oxopropyl)phenyl]-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for 4-[4-(3-ethoxy-3-oxopropyl)phenyl]-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for 4-[4-(3-ethoxy-3-oxopropyl)phenyl]-3-hydroxypiperidine-1-carboxylate is CCOC(=O)CCc1ccc(C2CCN(C(=O)[O-])CC2O)cc1.
What is the InChIKey of 4-[4-(3-ethoxy-3-oxopropyl)phenyl]-3-hydroxypiperidine-1-carboxylate?
The InChIKey is AGIZCSRKVDPIGD-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H23NO5/c1-2-23-16(20)8-5-12-3-6-13(7-4-12)14-9-10-18(17(21)22)11-15(14)19/h3-4,6-7,14-15,19H,2,5,8-11H2,1H3,(H,21,22)/p-1.
What are the key properties of 4-[4-(3-ethoxy-3-oxopropyl)phenyl]-3-hydroxypiperidine-1-carboxylate?
4-[4-(3-ethoxy-3-oxopropyl)phenyl]-3-hydroxypiperidine-1-carboxylate has a molecular weight of 320.37 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-ethoxy-3-oxopropyl)phenyl]-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 22128528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).