1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one

C21H30FN3O3 — CID 24790838

IUPAC1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one
SMILESCOCCN1CCN(C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)CC1
InChIInChI=1S/C21H30FN3O3/c1-28-14-13-23-9-11-24(12-10-23)21(27)18-5-6-20(26)25(16-18)8-7-17-3-2-4-19(22)15-17/h2-4,15,18H,5-14,16H2,1H3
InChIKeyVWEINDCKOUOJEB-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.40
Rot. Bonds7

About 1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one

1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one (PubChem CID 24790838) has the molecular formula C21H30FN3O3 and a molecular weight of 391.49 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one
PubChem CID24790838
Molecular FormulaC21H30FN3O3
Molecular Weight391.49 g/mol
Exact Mass391.23
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one
SMILESCOCCN1CCN(C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)CC1
InChIInChI=1S/C21H30FN3O3/c1-28-14-13-23-9-11-24(12-10-23)21(27)18-5-6-20(26)25(16-18)8-7-17-3-2-4-19(22)15-17/h2-4,15,18H,5-14,16H2,1H3
InChIKeyVWEINDCKOUOJEB-UHFFFAOYSA-N
XLogP1.40
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one 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

1-[2-(3-Fluorophenyl)ethyl]-5-[(4-methoxy-1-piperidinyl)carbonyl]-2-piperidinone
CID 24790276
5-{[4-(2-Methoxyethyl)-1-piperazinyl]carbonyl}-1-(2-phenylethyl)-2-piperidinone
CID 24793163
1-[2-(3-Fluorophenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one
CID 24793260
5-{[4-(3-Methoxypropyl)-1-piperidinyl]carbonyl}-1-(2-phenylethyl)-2-piperidinone
CID 24793807
N-{[1-({1-[2-(3-fluorophenyl)ethyl]-6-oxo-3-piperidinyl}carbonyl)-4-piperidinyl]methyl}acetamide
CID 24794305
5-(1,2-Oxazinan-2-ylcarbonyl)-1-(2-phenylethyl)-2-piperidinone
CID 24819472
Methyl 1-({1-[2-(3-fluorophenyl)ethyl]-6-oxo-3-piperidinyl}carbonyl)-4-piperidinecarboxylate
CID 24819508
1-[2-(3-Fluorophenyl)ethyl]-5-(1-pyrrolidinylcarbonyl)-2-piperidinone
CID 24816833
1-[2-(3-Fluorophenyl)ethyl]-5-{[4-(2-methoxyethoxy)-1-piperidinyl]carbonyl}-2-piperidinone
CID 24790640
N-(3-fluorobenzyl)-1-[3-(4-morpholinyl)propyl]-6-oxo-3-piperidinecarboxamide
CID 24791214
1-[2-(4-Chlorophenyl)ethyl]-5-{[4-(2-methoxyethyl)-1-piperazinyl]carbonyl}-2-piperidinone
CID 24792085
N-benzyl-N-(2-hydroxyethyl)-1-[3-(4-morpholinyl)propyl]-6-oxo-3-piperidinecarboxamide
CID 24794085

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one (CID 24790838) is 1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one is COCCN1CCN(C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)CC1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is VWEINDCKOUOJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O3/c1-28-14-13-23-9-11-24(12-10-23)21(27)18-5-6-20(26)25(16-18)8-7-17-3-2-4-19(22)15-17/h2-4,15,18H,5-14,16H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one?
1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 391.49 g/mol, XLogP of 1.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 24790838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).