3-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one

C15H22FN3O — CID 83126842

IUPAC3-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one
SMILESCCC1CN(CCC(=O)c2ccc(F)cn2)CCN1C
InChIInChI=1S/C15H22FN3O/c1-3-13-11-19(9-8-18(13)2)7-6-15(20)14-5-4-12(16)10-17-14/h4-5,10,13H,3,6-9,11H2,1-2H3
InChIKeyKLZHRGSUTFVMRA-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.82
Rot. Bonds5

About 3-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one

3-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one (PubChem CID 83126842) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one
PubChem CID83126842
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name3-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one
SMILESCCC1CN(CCC(=O)c2ccc(F)cn2)CCN1C
InChIInChI=1S/C15H22FN3O/c1-3-13-11-19(9-8-18(13)2)7-6-15(20)14-5-4-12(16)10-17-14/h4-5,10,13H,3,6-9,11H2,1-2H3
InChIKeyKLZHRGSUTFVMRA-UHFFFAOYSA-N
XLogP1.82
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125772
1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 83125914
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83110513
1-(5-fluoro-2-pyridinyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 102886440
(3-ethyl-4-methylpiperazin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone
CID 104641352
3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126542
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126546
3-(6-fluoro-2,3-dihydroindol-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 103502450
3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126686
3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125838
2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 63633578
(4-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone
CID 79723336

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one?
The IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one (CID 83126842) is 3-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one.
What is the SMILES notation for 3-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one?
The canonical SMILES for 3-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one is CCC1CN(CCC(=O)c2ccc(F)cn2)CCN1C.
What is the InChIKey of 3-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one?
The InChIKey is KLZHRGSUTFVMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-3-13-11-19(9-8-18(13)2)7-6-15(20)14-5-4-12(16)10-17-14/h4-5,10,13H,3,6-9,11H2,1-2H3.
What are the key properties of 3-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one?
3-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one has a molecular weight of 279.36 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one is sourced from PubChem (CID 83126842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).