2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)-2-piperazin-1-ylethanone

C18H26FN3O — CID 83978153

IUPAC2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)-2-piperazin-1-ylethanone
SMILESCC1CCCN(C(=O)C(c2ccc(F)cc2)N2CCNCC2)C1
InChIInChI=1S/C18H26FN3O/c1-14-3-2-10-22(13-14)18(23)17(21-11-8-20-9-12-21)15-4-6-16(19)7-5-15/h4-7,14,17,20H,2-3,8-13H2,1H3
InChIKeyBOUOVJZWIAWMRC-UHFFFAOYSA-N
MW319.42 g/mol
LogP2.03
Rot. Bonds3

About 2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)-2-piperazin-1-ylethanone

2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)-2-piperazin-1-ylethanone (PubChem CID 83978153) has the molecular formula C18H26FN3O and a molecular weight of 319.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)-2-piperazin-1-ylethanone
PubChem CID83978153
Molecular FormulaC18H26FN3O
Molecular Weight319.42 g/mol
Exact Mass319.21
IUPAC Name2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)-2-piperazin-1-ylethanone
SMILESCC1CCCN(C(=O)C(c2ccc(F)cc2)N2CCNCC2)C1
InChIInChI=1S/C18H26FN3O/c1-14-3-2-10-22(13-14)18(23)17(21-11-8-20-9-12-21)15-4-6-16(19)7-5-15/h4-7,14,17,20H,2-3,8-13H2,1H3
InChIKeyBOUOVJZWIAWMRC-UHFFFAOYSA-N
XLogP2.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)-2-piperazin-1-ylethanone 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-(4-methylpiperidin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone
CID 83980030
2-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetic acid
CID 54890531
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
(2S)-2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]butan-1-one
CID 28579047
2-(3-methylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone
CID 83979359
1-[(3S)-3-methylpiperidin-1-yl]-2,2-diphenylethanone
CID 1292213
2-(3,4-dimethoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone
CID 112539474
2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone
CID 83979179
1-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone
CID 83980013
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
1-(3-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-2-phenylethanone
CID 119579647

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)-2-piperazin-1-ylethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)-2-piperazin-1-ylethanone (CID 83978153) is 2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)-2-piperazin-1-ylethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)-2-piperazin-1-ylethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)-2-piperazin-1-ylethanone is CC1CCCN(C(=O)C(c2ccc(F)cc2)N2CCNCC2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)-2-piperazin-1-ylethanone?
The InChIKey is BOUOVJZWIAWMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O/c1-14-3-2-10-22(13-14)18(23)17(21-11-8-20-9-12-21)15-4-6-16(19)7-5-15/h4-7,14,17,20H,2-3,8-13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)-2-piperazin-1-ylethanone?
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)-2-piperazin-1-ylethanone has a molecular weight of 319.42 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)-2-piperazin-1-ylethanone is sourced from PubChem (CID 83978153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).