1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one

C19H28FN3O2 — CID 110611599

IUPAC1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one
SMILESCN(C)CCC(=O)N1CCN(C(=O)CCCc2ccccc2F)CC1
InChIInChI=1S/C19H28FN3O2/c1-21(2)11-10-19(25)23-14-12-22(13-15-23)18(24)9-5-7-16-6-3-4-8-17(16)20/h3-4,6,8H,5,7,9-15H2,1-2H3
InChIKeyGIEOBNHDLSFNHA-UHFFFAOYSA-N
MW349.45 g/mol
LogP1.77
Rot. Bonds7

About 1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one

1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one (PubChem CID 110611599) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one
PubChem CID110611599
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one
SMILESCN(C)CCC(=O)N1CCN(C(=O)CCCc2ccccc2F)CC1
InChIInChI=1S/C19H28FN3O2/c1-21(2)11-10-19(25)23-14-12-22(13-15-23)18(24)9-5-7-16-6-3-4-8-17(16)20/h3-4,6,8H,5,7,9-15H2,1-2H3
InChIKeyGIEOBNHDLSFNHA-UHFFFAOYSA-N
XLogP1.77
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110611618
4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110421664
9-(2-fluorophenyl)-1-piperidin-1-ylnonan-1-one
CID 171353148
1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]butan-1-one
CID 110413324
3-(dimethylamino)-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110666193
N-[2-(2-fluorophenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113120919
N-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide
CID 110408284
1-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-4-(methylamino)butan-1-one;hydrochloride
CID 119754849
N-[2-(2-fluorophenyl)ethyl]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113120951
1-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802493
3-(2-fluorophenyl)-1-[4-(3-methylsulfonylpropanoyl)piperazin-1-yl]propan-1-one
CID 110611427
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one
CID 110611606

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one?
The IUPAC name of 1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one (CID 110611599) is 1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one.
What is the SMILES notation for 1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one?
The canonical SMILES for 1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one is CN(C)CCC(=O)N1CCN(C(=O)CCCc2ccccc2F)CC1.
What is the InChIKey of 1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one?
The InChIKey is GIEOBNHDLSFNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-21(2)11-10-19(25)23-14-12-22(13-15-23)18(24)9-5-7-16-6-3-4-8-17(16)20/h3-4,6,8H,5,7,9-15H2,1-2H3.
What are the key properties of 1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one?
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one has a molecular weight of 349.45 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one is sourced from PubChem (CID 110611599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).