[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate

C21H27N3O3 — CID 55441885

IUPAC[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
SMILESCCC1CCCCN1C(=O)COC(=O)CCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H27N3O3/c1-2-18-8-6-7-13-23(18)20(25)16-27-21(26)12-11-17-14-22-24(15-17)19-9-4-3-5-10-19/h3-5,9-10,14-15,18H,2,6-8,11-13,16H2,1H3
InChIKeyKPXJUWJIEUTGLM-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.14
Rot. Bonds7

About [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate

[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate (PubChem CID 55441885) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate.

Molecular Properties

Compound Name[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
PubChem CID55441885
Molecular FormulaC21H27N3O3
Molecular Weight369.46 g/mol
Exact Mass369.21
IUPAC Name[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
SMILESCCC1CCCCN1C(=O)COC(=O)CCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H27N3O3/c1-2-18-8-6-7-13-23(18)20(25)16-27-21(26)12-11-17-14-22-24(15-17)19-9-4-3-5-10-19/h3-5,9-10,14-15,18H,2,6-8,11-13,16H2,1H3
InChIKeyKPXJUWJIEUTGLM-UHFFFAOYSA-N
XLogP3.14
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate 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

[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 55441243
N-[[1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073396
[2-(cyclohexylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031247
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one;hydrochloride
CID 119649031
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one;hydrochloride
CID 119434870
benzyl 4-(2-ethylpiperidin-1-yl)-4-oxobutanoate
CID 138554546
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7991964
1-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 9266346
[2-(methylcarbamoylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031416
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 46639050
ethyl 1-[2-(1-phenylpyrazol-4-yl)acetyl]piperidine-4-carboxylate
CID 31763477
1-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 94487032

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate?
The IUPAC name of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate (CID 55441885) is [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate.
What is the SMILES notation for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate?
The canonical SMILES for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate is CCC1CCCCN1C(=O)COC(=O)CCc1cnn(-c2ccccc2)c1.
What is the InChIKey of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate?
The InChIKey is KPXJUWJIEUTGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-2-18-8-6-7-13-23(18)20(25)16-27-21(26)12-11-17-14-22-24(15-17)19-9-4-3-5-10-19/h3-5,9-10,14-15,18H,2,6-8,11-13,16H2,1H3.
What are the key properties of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate?
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate has a molecular weight of 369.46 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate is sourced from PubChem (CID 55441885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).