3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5,6-dimethyl-1H-pyridin-2-one

C19H20F2N2O2 — CID 122559227

IUPAC3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)c(=O)[nH]c1C
InChIInChI=1S/C19H20F2N2O2/c1-12-11-16(17(24)22-13(12)2)14-3-5-15(6-4-14)18(25)23-9-7-19(20,21)8-10-23/h3-6,11H,7-10H2,1-2H3,(H,22,24)
InChIKeyHUDTXCRHWUCPCC-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.53
Rot. Bonds2

About 3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5,6-dimethyl-1H-pyridin-2-one

3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5,6-dimethyl-1H-pyridin-2-one (PubChem CID 122559227) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5,6-dimethyl-1H-pyridin-2-one
PubChem CID122559227
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)c(=O)[nH]c1C
InChIInChI=1S/C19H20F2N2O2/c1-12-11-16(17(24)22-13(12)2)14-3-5-15(6-4-14)18(25)23-9-7-19(20,21)8-10-23/h3-6,11H,7-10H2,1-2H3,(H,22,24)
InChIKeyHUDTXCRHWUCPCC-UHFFFAOYSA-N
XLogP3.53
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5,6-dimethyl-1H-pyridin-2-one with MolForge

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Related Compounds

N-[(3R)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide
CID 125440109
N-[(3S)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide
CID 125440110
3-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
CID 70752830
(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 77094058
1-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
CID 72908605
(4,4-difluoropiperidin-1-yl)-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]methanone
CID 144770880
[4-[2-(aminomethyl)-7-(4-fluorophenyl)-1-methylindol-5-yl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone
CID 126601638
(3-bromo-5-fluoro-4-methylphenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 176513315
6-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-3,4-dihydro-2H-phthalazin-1-one
CID 176752233
[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-methylindol-2-yl]-methylcarbamic acid
CID 126601671
6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one
CID 154667306
[4-[4-amino-3-(3-chlorophenyl)phenyl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone
CID 126602273

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5,6-dimethyl-1H-pyridin-2-one (CID 122559227) is 3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5,6-dimethyl-1H-pyridin-2-one is Cc1cc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)c(=O)[nH]c1C.
What is the InChIKey of 3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5,6-dimethyl-1H-pyridin-2-one?
The InChIKey is HUDTXCRHWUCPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-12-11-16(17(24)22-13(12)2)14-3-5-15(6-4-14)18(25)23-9-7-19(20,21)8-10-23/h3-6,11H,7-10H2,1-2H3,(H,22,24).
What are the key properties of 3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5,6-dimethyl-1H-pyridin-2-one?
3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5,6-dimethyl-1H-pyridin-2-one has a molecular weight of 346.38 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 122559227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).