4-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)piperazin-2-one

C18H21FN4O — CID 77089729

IUPAC4-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)piperazin-2-one
SMILESCN(C)c1ccc(CN2CCNC(=O)C2c2ccc(F)cc2)cn1
InChIInChI=1S/C18H21FN4O/c1-22(2)16-8-3-13(11-21-16)12-23-10-9-20-18(24)17(23)14-4-6-15(19)7-5-14/h3-8,11,17H,9-10,12H2,1-2H3,(H,20,24)
InChIKeyFBSNUIDDQJBEEO-UHFFFAOYSA-N
MW328.39 g/mol
LogP1.96
Rot. Bonds4

About 4-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)piperazin-2-one

4-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)piperazin-2-one (PubChem CID 77089729) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)piperazin-2-one
PubChem CID77089729
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name4-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)piperazin-2-one
SMILESCN(C)c1ccc(CN2CCNC(=O)C2c2ccc(F)cc2)cn1
InChIInChI=1S/C18H21FN4O/c1-22(2)16-8-3-13(11-21-16)12-23-10-9-20-18(24)17(23)14-4-6-15(19)7-5-14/h3-8,11,17H,9-10,12H2,1-2H3,(H,20,24)
InChIKeyFBSNUIDDQJBEEO-UHFFFAOYSA-N
XLogP1.96
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide
CID 135100880
5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 77084244
4-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-3-propylpiperazin-2-one
CID 119048688
7-[[(2S)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 124754555
7-[[(2R)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 124754556
3-(4-fluorophenyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-2-one
CID 91841721
(3R)-4-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-(2-methylpropyl)piperazin-2-one
CID 124846522
3-(4-fluorophenyl)-4-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]piperazin-2-one
CID 135118287
N-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride
CID 120846546
(3S)-3'-[[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]spiro[6,7-dihydro-1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
CID 70920328
(5S)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97151956
4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one
CID 110420024

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)piperazin-2-one?
The IUPAC name of 4-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)piperazin-2-one (CID 77089729) is 4-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)piperazin-2-one.
What is the SMILES notation for 4-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)piperazin-2-one?
The canonical SMILES for 4-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)piperazin-2-one is CN(C)c1ccc(CN2CCNC(=O)C2c2ccc(F)cc2)cn1.
What is the InChIKey of 4-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)piperazin-2-one?
The InChIKey is FBSNUIDDQJBEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-22(2)16-8-3-13(11-21-16)12-23-10-9-20-18(24)17(23)14-4-6-15(19)7-5-14/h3-8,11,17H,9-10,12H2,1-2H3,(H,20,24).
What are the key properties of 4-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)piperazin-2-one?
4-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)piperazin-2-one has a molecular weight of 328.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)piperazin-2-one is sourced from PubChem (CID 77089729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).