5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

C19H22FN3O2 — CID 156586016

IUPAC5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1[nH]c(=O)ccc1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H22FN3O2/c1-13(2)18-14(7-8-17(24)21-18)19(25)23-11-9-22(10-12-23)16-6-4-3-5-15(16)20/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyXEYNLGYMFIVMBD-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.60
Rot. Bonds3

About 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 156586016) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
PubChem CID156586016
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1[nH]c(=O)ccc1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H22FN3O2/c1-13(2)18-14(7-8-17(24)21-18)19(25)23-11-9-22(10-12-23)16-6-4-3-5-15(16)20/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyXEYNLGYMFIVMBD-UHFFFAOYSA-N
XLogP2.60
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 925290
(2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3648748
(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1332392
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107023626
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 42936420
6-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 74247706
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
[4-(2-fluorophenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 1089294
[4-(2-fluorophenyl)piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 18167730
(2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3148007
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,8-dimethyl-1H-quinolin-2-one
CID 110295970

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (CID 156586016) is 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is CC(C)c1[nH]c(=O)ccc1C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is XEYNLGYMFIVMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-13(2)18-14(7-8-17(24)21-18)19(25)23-11-9-22(10-12-23)16-6-4-3-5-15(16)20/h3-8,13H,9-12H2,1-2H3,(H,21,24).
What are the key properties of 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 343.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 156586016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).