5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide

C18H26FN3O2 — CID 120737953

IUPAC5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)CCCC(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C18H26FN3O2/c1-13(2)21-17(23)7-4-8-18(24)22-10-9-20-12-16(22)14-5-3-6-15(19)11-14/h3,5-6,11,13,16,20H,4,7-10,12H2,1-2H3,(H,21,23)
InChIKeyDQWCEOHEKFTIMM-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.99
Rot. Bonds6

About 5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide

5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide (PubChem CID 120737953) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide
PubChem CID120737953
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)CCCC(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C18H26FN3O2/c1-13(2)21-17(23)7-4-8-18(24)22-10-9-20-12-16(22)14-5-3-6-15(19)11-14/h3,5-6,11,13,16,20H,4,7-10,12H2,1-2H3,(H,21,23)
InChIKeyDQWCEOHEKFTIMM-UHFFFAOYSA-N
XLogP1.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 120737290
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide
CID 120736914
5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide
CID 120736864
1-[2-(3-fluorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione
CID 120737260
N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride
CID 120736036
N-[1-[2-(3-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 120737082
N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]benzamide
CID 120737378
3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one
CID 120736504
1-[2-(3-fluorophenyl)piperazin-1-yl]-4-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 120737651
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 120737437
4-(3-acetylphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one
CID 120737240
4-fluoro-N-[3-[2-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 120737596

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide?
The IUPAC name of 5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide (CID 120737953) is 5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide.
What is the SMILES notation for 5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide?
The canonical SMILES for 5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide is CC(C)NC(=O)CCCC(=O)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide?
The InChIKey is DQWCEOHEKFTIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-13(2)21-17(23)7-4-8-18(24)22-10-9-20-12-16(22)14-5-3-6-15(19)11-14/h3,5-6,11,13,16,20H,4,7-10,12H2,1-2H3,(H,21,23).
What are the key properties of 5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide?
5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide has a molecular weight of 335.42 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 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-propan-2-ylpentanamide is sourced from PubChem (CID 120737953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).