5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide

C21H32FN3O2 — CID 120736864

IUPAC5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide
SMILESCCCN(CCC)C(=O)CCCC(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C21H32FN3O2/c1-3-12-24(13-4-2)20(26)9-6-10-21(27)25-14-11-23-16-19(25)17-7-5-8-18(22)15-17/h5,7-8,15,19,23H,3-4,6,9-14,16H2,1-2H3
InChIKeyRNIPBYBBTHLXPB-UHFFFAOYSA-N
MW377.50 g/mol
LogP3.12
Rot. Bonds9

About 5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide

5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide (PubChem CID 120736864) has the molecular formula C21H32FN3O2 and a molecular weight of 377.50 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide
PubChem CID120736864
Molecular FormulaC21H32FN3O2
Molecular Weight377.50 g/mol
Exact Mass377.25
IUPAC Name5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide
SMILESCCCN(CCC)C(=O)CCCC(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C21H32FN3O2/c1-3-12-24(13-4-2)20(26)9-6-10-21(27)25-14-11-23-16-19(25)17-7-5-8-18(22)15-17/h5,7-8,15,19,23H,3-4,6,9-14,16H2,1-2H3
InChIKeyRNIPBYBBTHLXPB-UHFFFAOYSA-N
XLogP3.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone
CID 120735825
5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide
CID 120737953
1-[2-(3-fluorophenyl)piperazin-1-yl]-4-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 120737651
1-[2-(3-fluorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione
CID 120737260
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120737774
N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]benzamide
CID 120737378
4-oxo-N,N-dipropyl-4-(2-pyridin-3-ylpiperazin-1-yl)butanamide;hydrochloride
CID 120730453
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 120737290
3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one
CID 120736504
N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride
CID 120736036
4-(3-acetylphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one
CID 120737240

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide?
The IUPAC name of 5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide (CID 120736864) is 5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide.
What is the SMILES notation for 5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide?
The canonical SMILES for 5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide is CCCN(CCC)C(=O)CCCC(=O)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide?
The InChIKey is RNIPBYBBTHLXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN3O2/c1-3-12-24(13-4-2)20(26)9-6-10-21(27)25-14-11-23-16-19(25)17-7-5-8-18(22)15-17/h5,7-8,15,19,23H,3-4,6,9-14,16H2,1-2H3.
What are the key properties of 5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide?
5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide has a molecular weight of 377.50 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide is sourced from PubChem (CID 120736864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).