N-[2-(2-fluorophenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide

C18H26FN3O2 — CID 113120919

IUPACN-[2-(2-fluorophenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(C)CC1)CCc1ccccc1F
InChIInChI=1S/C18H26FN3O2/c1-15(23)21(9-7-16-5-3-4-6-17(16)19)10-8-18(24)22-13-11-20(2)12-14-22/h3-6H,7-14H2,1-2H3
InChIKeyBHYPKEYSYGICTA-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.38
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide

N-[2-(2-fluorophenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide (PubChem CID 113120919) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
PubChem CID113120919
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(C)CC1)CCc1ccccc1F
InChIInChI=1S/C18H26FN3O2/c1-15(23)21(9-7-16-5-3-4-6-17(16)19)10-8-18(24)22-13-11-20(2)12-14-22/h3-6H,7-14H2,1-2H3
InChIKeyBHYPKEYSYGICTA-UHFFFAOYSA-N
XLogP1.38
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113120951
N-[2-(2-fluorophenyl)ethyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113121038
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one
CID 110611599
1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110611618
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 113119116
N-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113117464
4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110421664
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
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-methoxyethyl)propanamide
CID 113120912
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide
CID 113120960
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide
CID 113120928

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide (CID 113120919) is N-[2-(2-fluorophenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide is CC(=O)N(CCC(=O)N1CCN(C)CC1)CCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is BHYPKEYSYGICTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-15(23)21(9-7-16-5-3-4-6-17(16)19)10-8-18(24)22-13-11-20(2)12-14-22/h3-6H,7-14H2,1-2H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
N-[2-(2-fluorophenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 335.42 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113120919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).