N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride

C14H19ClFN3O2 — CID 120737437

IUPACN-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
SMILESCC(=O)NCC(=O)N1CCNCC1c1cccc(F)c1.Cl
InChIInChI=1S/C14H18FN3O2.ClH/c1-10(19)17-9-14(20)18-6-5-16-8-13(18)11-3-2-4-12(15)7-11;/h2-4,7,13,16H,5-6,8-9H2,1H3,(H,17,19);1H
InChIKeyRBKGNODLAUDDAR-UHFFFAOYSA-N
MW315.78 g/mol
LogP0.86
Rot. Bonds3

About N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride

N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride (PubChem CID 120737437) has the molecular formula C14H19ClFN3O2 and a molecular weight of 315.78 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
PubChem CID120737437
Molecular FormulaC14H19ClFN3O2
Molecular Weight315.78 g/mol
Exact Mass315.11
IUPAC NameN-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
SMILESCC(=O)NCC(=O)N1CCNCC1c1cccc(F)c1.Cl
InChIInChI=1S/C14H18FN3O2.ClH/c1-10(19)17-9-14(20)18-6-5-16-8-13(18)11-3-2-4-12(15)7-11;/h2-4,7,13,16H,5-6,8-9H2,1H3,(H,17,19);1H
InChIKeyRBKGNODLAUDDAR-UHFFFAOYSA-N
XLogP0.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide
CID 120736914
N-[1-[2-(3-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 120737082
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one
CID 120736504
2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120736006
N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride
CID 120736036
4-fluoro-N-[3-[2-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 120737596
N,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride
CID 120737225
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 120737290
3-(2-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 120736221
2-(4-fluorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736085
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone
CID 120735825

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride?
The IUPAC name of N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride (CID 120737437) is N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride is CC(=O)NCC(=O)N1CCNCC1c1cccc(F)c1.Cl.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride?
The InChIKey is RBKGNODLAUDDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2.ClH/c1-10(19)17-9-14(20)18-6-5-16-8-13(18)11-3-2-4-12(15)7-11;/h2-4,7,13,16H,5-6,8-9H2,1H3,(H,17,19);1H.
What are the key properties of N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride?
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride has a molecular weight of 315.78 g/mol, XLogP of 0.86, 3 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]acetamide;hydrochloride is sourced from PubChem (CID 120737437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).