4-[(4-fluorophenyl)methyl]-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione

C17H22FNO2 — CID 114835105

IUPAC4-[(4-fluorophenyl)methyl]-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione
SMILESCC(C)CC1C(=O)NC(=O)CC1(C)Cc1ccc(F)cc1
InChIInChI=1S/C17H22FNO2/c1-11(2)8-14-16(21)19-15(20)10-17(14,3)9-12-4-6-13(18)7-5-12/h4-7,11,14H,8-10H2,1-3H3,(H,19,20,21)
InChIKeySCPGKYBMBMFLDA-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.08
Rot. Bonds4

About 4-[(4-fluorophenyl)methyl]-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione

4-[(4-fluorophenyl)methyl]-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione (PubChem CID 114835105) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione
PubChem CID114835105
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name4-[(4-fluorophenyl)methyl]-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione
SMILESCC(C)CC1C(=O)NC(=O)CC1(C)Cc1ccc(F)cc1
InChIInChI=1S/C17H22FNO2/c1-11(2)8-14-16(21)19-15(20)10-17(14,3)9-12-4-6-13(18)7-5-12/h4-7,11,14H,8-10H2,1-3H3,(H,19,20,21)
InChIKeySCPGKYBMBMFLDA-UHFFFAOYSA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(methoxymethyl)-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione
CID 79317410
10,10-dimethyl-5-(2-methylpropyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 79318355
3-benzyl-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione
CID 79317625
3-(2-fluorophenyl)-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione
CID 79454418
4-methyl-4-(3-methylbutyl)-3-propylpiperidine-2,6-dione
CID 79318435
4-(2,4-difluorophenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one
CID 66107446
1-fluoro-4-[(1-propan-2-ylcyclopropyl)methyl]benzene
CID 177366781
(4R,5S)-4-[(4-fluorophenyl)methyl]-5-(1-hydroxybut-3-ynyl)-4-propan-2-ylpyrrolidin-2-one
CID 88518265
1-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429768
5-ethyl-4-[(3-fluorophenyl)methyl]-4-methylpyrrolidin-2-one
CID 114834972
4-methyl-3-(3-methylphenyl)-4-(2-methylpropyl)piperidine-2,6-dione
CID 79437320
10-ethyl-5-(2-methylpropyl)-3,10-diazaspiro[5.6]dodecane-2,4-dione
CID 79317646

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione (CID 114835105) is 4-[(4-fluorophenyl)methyl]-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione is CC(C)CC1C(=O)NC(=O)CC1(C)Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione?
The InChIKey is SCPGKYBMBMFLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-11(2)8-14-16(21)19-15(20)10-17(14,3)9-12-4-6-13(18)7-5-12/h4-7,11,14H,8-10H2,1-3H3,(H,19,20,21).
What are the key properties of 4-[(4-fluorophenyl)methyl]-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione?
4-[(4-fluorophenyl)methyl]-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione has a molecular weight of 291.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione is sourced from PubChem (CID 114835105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).