4-[4-(2,6-difluorophenyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one

C17H21F2N3O2 — CID 136549408

IUPAC4-[4-(2,6-difluorophenyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one
SMILESCN1CCC(C(=O)N2CCN(c3c(F)cccc3F)CC2)CC1=O
InChIInChI=1S/C17H21F2N3O2/c1-20-6-5-12(11-15(20)23)17(24)22-9-7-21(8-10-22)16-13(18)3-2-4-14(16)19/h2-4,12H,5-11H2,1H3
InChIKeyGCXKCAKGEAMFHL-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.48
Rot. Bonds2

About 4-[4-(2,6-difluorophenyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one

4-[4-(2,6-difluorophenyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one (PubChem CID 136549408) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is 4-[4-(2,6-difluorophenyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name4-[4-(2,6-difluorophenyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one
PubChem CID136549408
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC Name4-[4-(2,6-difluorophenyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one
SMILESCN1CCC(C(=O)N2CCN(c3c(F)cccc3F)CC2)CC1=O
InChIInChI=1S/C17H21F2N3O2/c1-20-6-5-12(11-15(20)23)17(24)22-9-7-21(8-10-22)16-13(18)3-2-4-14(16)19/h2-4,12H,5-11H2,1H3
InChIKeyGCXKCAKGEAMFHL-UHFFFAOYSA-N
XLogP1.48
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081215
(4R)-4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one
CID 94525523
1-methyl-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]piperidin-2-one
CID 146123827
2-[4-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 94114980
(4S)-4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-1-methylpiperidin-2-one
CID 94631489
(4R)-1-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one
CID 94168138
(4R)-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one
CID 95143555
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
4-(azepane-1-carbonyl)-1-(2,6-difluorophenyl)pyrrolidin-2-one
CID 113192284
(4R)-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 35697880
1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 119136731
1-methyl-4-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]piperidin-2-one
CID 56812349

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,6-difluorophenyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one?
The IUPAC name of 4-[4-(2,6-difluorophenyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one (CID 136549408) is 4-[4-(2,6-difluorophenyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one.
What is the SMILES notation for 4-[4-(2,6-difluorophenyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one?
The canonical SMILES for 4-[4-(2,6-difluorophenyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one is CN1CCC(C(=O)N2CCN(c3c(F)cccc3F)CC2)CC1=O.
What is the InChIKey of 4-[4-(2,6-difluorophenyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one?
The InChIKey is GCXKCAKGEAMFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c1-20-6-5-12(11-15(20)23)17(24)22-9-7-21(8-10-22)16-13(18)3-2-4-14(16)19/h2-4,12H,5-11H2,1H3.
What are the key properties of 4-[4-(2,6-difluorophenyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one?
4-[4-(2,6-difluorophenyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one has a molecular weight of 337.37 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,6-difluorophenyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one is sourced from PubChem (CID 136549408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).