N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide

C18H26FN3O2 — CID 120736914

IUPACN-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C18H26FN3O2/c1-13(2)6-7-17(23)21-12-18(24)22-9-8-20-11-16(22)14-4-3-5-15(19)10-14/h3-5,10,13,16,20H,6-9,11-12H2,1-2H3,(H,21,23)
InChIKeyMUVMKRWDQXJWGZ-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.85
Rot. Bonds6

About N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide

N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide (PubChem CID 120736914) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide
PubChem CID120736914
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC NameN-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C18H26FN3O2/c1-13(2)6-7-17(23)21-12-18(24)22-9-8-20-11-16(22)14-4-3-5-15(19)10-14/h3-5,10,13,16,20H,6-9,11-12H2,1-2H3,(H,21,23)
InChIKeyMUVMKRWDQXJWGZ-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 120737437
5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide
CID 120737953
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 120737290
1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 120802381
3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one
CID 120736504
N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 120734221
N-[1-[2-(3-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 120737082
4-fluoro-N-[3-[2-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 120737596
4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 120736192
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
3-(2-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 120736221
N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride
CID 120736036

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide (CID 120736914) is N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide is CC(C)CCC(=O)NCC(=O)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide?
The InChIKey is MUVMKRWDQXJWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-13(2)6-7-17(23)21-12-18(24)22-9-8-20-11-16(22)14-4-3-5-15(19)10-14/h3-5,10,13,16,20H,6-9,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide?
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide has a molecular weight of 335.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide is sourced from PubChem (CID 120736914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).