N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)butanamide

C18H26FN3O2 — CID 122131852

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)butanamide
SMILESCCN1CCN(C(=O)CNC(=O)CC(C)c2ccccc2F)CC1
InChIInChI=1S/C18H26FN3O2/c1-3-21-8-10-22(11-9-21)18(24)13-20-17(23)12-14(2)15-6-4-5-7-16(15)19/h4-7,14H,3,8-13H2,1-2H3,(H,20,23)
InChIKeySYRIIOXEAMSJOO-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.60
Rot. Bonds6

About N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)butanamide

N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)butanamide (PubChem CID 122131852) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)butanamide
PubChem CID122131852
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)butanamide
SMILESCCN1CCN(C(=O)CNC(=O)CC(C)c2ccccc2F)CC1
InChIInChI=1S/C18H26FN3O2/c1-3-21-8-10-22(11-9-21)18(24)13-20-17(23)12-14(2)15-6-4-5-7-16(15)19/h4-7,14H,3,8-13H2,1-2H3,(H,20,23)
InChIKeySYRIIOXEAMSJOO-UHFFFAOYSA-N
XLogP1.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-fluorophenyl)butanoylamino]acetic acid
CID 119171648
(3R)-3-(2-fluorophenyl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]butan-1-one
CID 95348820
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112991714
3-(2-fluorophenyl)-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119403904
N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide
CID 119499708
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-fluorophenyl)butan-1-one;hydrochloride
CID 119520970
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide
CID 112991677
N-(3-amino-2-methylpropyl)-3-(2-fluorophenyl)butanamide
CID 119995472
1-[(3S)-3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid
CID 124688108
1-[3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid
CID 119166742
(3R)-3-(2-fluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]butan-1-one
CID 124733179
2-amino-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 60847921

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)butanamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)butanamide (CID 122131852) is N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)butanamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)butanamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)butanamide is CCN1CCN(C(=O)CNC(=O)CC(C)c2ccccc2F)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)butanamide?
The InChIKey is SYRIIOXEAMSJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-3-21-8-10-22(11-9-21)18(24)13-20-17(23)12-14(2)15-6-4-5-7-16(15)19/h4-7,14H,3,8-13H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)butanamide?
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)butanamide has a molecular weight of 335.42 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)butanamide is sourced from PubChem (CID 122131852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).