2-amino-1-[4-[2-fluoro-4-(4-methyl-2-methylideneimidazolidin-1-yl)phenyl]piperazin-1-yl]ethanone

C17H24FN5O — CID 145238001

IUPAC2-amino-1-[4-[2-fluoro-4-(4-methyl-2-methylideneimidazolidin-1-yl)phenyl]piperazin-1-yl]ethanone
SMILESC=C1NC(C)CN1c1ccc(N2CCN(C(=O)CN)CC2)c(F)c1
InChIInChI=1S/C17H24FN5O/c1-12-11-23(13(2)20-12)14-3-4-16(15(18)9-14)21-5-7-22(8-6-21)17(24)10-19/h3-4,9,12,20H,2,5-8,10-11,19H2,1H3
InChIKeyLCEZUDKBMWQHAU-UHFFFAOYSA-N
MW333.41 g/mol
LogP0.70
Rot. Bonds3

About 2-amino-1-[4-[2-fluoro-4-(4-methyl-2-methylideneimidazolidin-1-yl)phenyl]piperazin-1-yl]ethanone

2-amino-1-[4-[2-fluoro-4-(4-methyl-2-methylideneimidazolidin-1-yl)phenyl]piperazin-1-yl]ethanone (PubChem CID 145238001) has the molecular formula C17H24FN5O and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-amino-1-[4-[2-fluoro-4-(4-methyl-2-methylideneimidazolidin-1-yl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[2-fluoro-4-(4-methyl-2-methylideneimidazolidin-1-yl)phenyl]piperazin-1-yl]ethanone
PubChem CID145238001
Molecular FormulaC17H24FN5O
Molecular Weight333.41 g/mol
Exact Mass333.20
IUPAC Name2-amino-1-[4-[2-fluoro-4-(4-methyl-2-methylideneimidazolidin-1-yl)phenyl]piperazin-1-yl]ethanone
SMILESC=C1NC(C)CN1c1ccc(N2CCN(C(=O)CN)CC2)c(F)c1
InChIInChI=1S/C17H24FN5O/c1-12-11-23(13(2)20-12)14-3-4-16(15(18)9-14)21-5-7-22(8-6-21)17(24)10-19/h3-4,9,12,20H,2,5-8,10-11,19H2,1H3
InChIKeyLCEZUDKBMWQHAU-UHFFFAOYSA-N
XLogP0.70
TPSA64.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-3-[3-fluoro-4-[4-(2-methylsulfinylacetyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 59975096
3-[4-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]piperazin-1-yl]-3-oxopropanenitrile
CID 91333572
2-amino-N-[[(5S)-3-[3-fluoro-4-[4-(2-methoxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10251711
[2-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] 4-methylbenzoate
CID 90728962
N-[[(4S)-1-[4-[4-[2-(chloroamino)acetyl]piperazin-1-yl]-3-fluorophenyl]-2-oxoimidazolidin-4-yl]methyl]acetamide
CID 126540395
2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone
CID 82482185
N-[[3-[4-[4-(2-aminosulfanylacetyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 87832819
N-[[(5S)-3-[4-[4-(2-aminoethanethioyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 10049961
3-[3-fluoro-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]phenyl]-5-[(1-methoxyethenylamino)methyl]-1,3-oxazolidin-2-one
CID 143999520
S-methyl N-[3-[4-[4-(2-cyanoacetyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylcarbamothioate
CID 25164728
2,2,2-trideuterio-N-[[(5S)-3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 171381822
(5R)-3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 10566736

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[2-fluoro-4-(4-methyl-2-methylideneimidazolidin-1-yl)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-[2-fluoro-4-(4-methyl-2-methylideneimidazolidin-1-yl)phenyl]piperazin-1-yl]ethanone (CID 145238001) is 2-amino-1-[4-[2-fluoro-4-(4-methyl-2-methylideneimidazolidin-1-yl)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[2-fluoro-4-(4-methyl-2-methylideneimidazolidin-1-yl)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-[2-fluoro-4-(4-methyl-2-methylideneimidazolidin-1-yl)phenyl]piperazin-1-yl]ethanone is C=C1NC(C)CN1c1ccc(N2CCN(C(=O)CN)CC2)c(F)c1.
What is the InChIKey of 2-amino-1-[4-[2-fluoro-4-(4-methyl-2-methylideneimidazolidin-1-yl)phenyl]piperazin-1-yl]ethanone?
The InChIKey is LCEZUDKBMWQHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5O/c1-12-11-23(13(2)20-12)14-3-4-16(15(18)9-14)21-5-7-22(8-6-21)17(24)10-19/h3-4,9,12,20H,2,5-8,10-11,19H2,1H3.
What are the key properties of 2-amino-1-[4-[2-fluoro-4-(4-methyl-2-methylideneimidazolidin-1-yl)phenyl]piperazin-1-yl]ethanone?
2-amino-1-[4-[2-fluoro-4-(4-methyl-2-methylideneimidazolidin-1-yl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 333.41 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[2-fluoro-4-(4-methyl-2-methylideneimidazolidin-1-yl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 145238001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).