7-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5,7-diazaspiro[3.4]octane-6,8-dione

C18H21F2N3O2 — CID 167835617

IUPAC7-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC2(CCC2)C(=O)N1C1CCCN(Cc2c(F)cccc2F)C1
InChIInChI=1S/C18H21F2N3O2/c19-14-5-1-6-15(20)13(14)11-22-9-2-4-12(10-22)23-16(24)18(7-3-8-18)21-17(23)25/h1,5-6,12H,2-4,7-11H2,(H,21,25)
InChIKeyJLODSNLPWJJPKJ-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.40
Rot. Bonds3

About 7-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5,7-diazaspiro[3.4]octane-6,8-dione

7-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 167835617) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is 7-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name7-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5,7-diazaspiro[3.4]octane-6,8-dione
PubChem CID167835617
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC Name7-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC2(CCC2)C(=O)N1C1CCCN(Cc2c(F)cccc2F)C1
InChIInChI=1S/C18H21F2N3O2/c19-14-5-1-6-15(20)13(14)11-22-9-2-4-12(10-22)23-16(24)18(7-3-8-18)21-17(23)25/h1,5-6,12H,2-4,7-11H2,(H,21,25)
InChIKeyJLODSNLPWJJPKJ-UHFFFAOYSA-N
XLogP2.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5,7-diazaspiro[3.4]octane-6,8-dione with MolForge

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Related Compounds

8-benzoyl-3-[(3R)-1-benzylpiperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 129360807
3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 138999963
3-[(3S)-1-ethylpiperidin-3-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620696
8-benzoyl-3-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620621
2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid
CID 65060111
8-benzoyl-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620623
[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 129380640
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetamide
CID 119884012
1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol
CID 63331097
3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4280918
3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]butanoic acid
CID 81048636
(3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 124568925

Frequently Asked Questions

What is the IUPAC name of 7-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5,7-diazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 7-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5,7-diazaspiro[3.4]octane-6,8-dione (CID 167835617) is 7-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5,7-diazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 7-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5,7-diazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 7-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5,7-diazaspiro[3.4]octane-6,8-dione is O=C1NC2(CCC2)C(=O)N1C1CCCN(Cc2c(F)cccc2F)C1.
What is the InChIKey of 7-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5,7-diazaspiro[3.4]octane-6,8-dione?
The InChIKey is JLODSNLPWJJPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c19-14-5-1-6-15(20)13(14)11-22-9-2-4-12(10-22)23-16(24)18(7-3-8-18)21-17(23)25/h1,5-6,12H,2-4,7-11H2,(H,21,25).
What are the key properties of 7-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5,7-diazaspiro[3.4]octane-6,8-dione?
7-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 349.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 167835617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).