1-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione

C14H15F2NO2 — CID 82122971

IUPAC1-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
SMILESCC1CCN(C(=O)C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H15F2NO2/c1-9-4-6-17(7-5-9)14(19)13(18)10-2-3-11(15)12(16)8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyCYXGYISOKBLMHP-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.41
Rot. Bonds2

About 1-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione

1-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione (PubChem CID 82122971) has the molecular formula C14H15F2NO2 and a molecular weight of 267.27 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
PubChem CID82122971
Molecular FormulaC14H15F2NO2
Molecular Weight267.27 g/mol
Exact Mass267.11
IUPAC Name1-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
SMILESCC1CCN(C(=O)C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H15F2NO2/c1-9-4-6-17(7-5-9)14(19)13(18)10-2-3-11(15)12(16)8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyCYXGYISOKBLMHP-UHFFFAOYSA-N
XLogP2.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione 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

(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 82118297
3,4-difluoro-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
CID 76871490
(4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 55160201
(4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 593464
4-fluoro-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzoic acid
CID 80554904
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride
CID 120814455
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019
(4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110762195
1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 110350822
(2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 62510549
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 103441207

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione (CID 82122971) is 1-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione is CC1CCN(C(=O)C(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione?
The InChIKey is CYXGYISOKBLMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2/c1-9-4-6-17(7-5-9)14(19)13(18)10-2-3-11(15)12(16)8-10/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione?
1-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione has a molecular weight of 267.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 82122971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).