3-(3-cyclopropylimidazol-4-yl)-1-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]propan-1-one

C20H24F2N4O — CID 171432772

IUPAC3-(3-cyclopropylimidazol-4-yl)-1-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]propan-1-one
SMILESC[C@H]1CN(C(=O)CCc2cncn2C2CC2)CCN1c1cc(F)cc(F)c1
InChIInChI=1S/C20H24F2N4O/c1-14-12-24(6-7-25(14)19-9-15(21)8-16(22)10-19)20(27)5-4-18-11-23-13-26(18)17-2-3-17/h8-11,13-14,17H,2-7,12H2,1H3/t14-/m0/s1
InChIKeyHLRZGBHARFNCBI-AWEZNQCLSA-N
MW374.44 g/mol
LogP3.17
Rot. Bonds5

About 3-(3-cyclopropylimidazol-4-yl)-1-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]propan-1-one

3-(3-cyclopropylimidazol-4-yl)-1-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]propan-1-one (PubChem CID 171432772) has the molecular formula C20H24F2N4O and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-(3-cyclopropylimidazol-4-yl)-1-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-cyclopropylimidazol-4-yl)-1-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]propan-1-one
PubChem CID171432772
Molecular FormulaC20H24F2N4O
Molecular Weight374.44 g/mol
Exact Mass374.19
IUPAC Name3-(3-cyclopropylimidazol-4-yl)-1-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]propan-1-one
SMILESC[C@H]1CN(C(=O)CCc2cncn2C2CC2)CCN1c1cc(F)cc(F)c1
InChIInChI=1S/C20H24F2N4O/c1-14-12-24(6-7-25(14)19-9-15(21)8-16(22)10-19)20(27)5-4-18-11-23-13-26(18)17-2-3-17/h8-11,13-14,17H,2-7,12H2,1H3/t14-/m0/s1
InChIKeyHLRZGBHARFNCBI-AWEZNQCLSA-N
XLogP3.17
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-4-hydroxy-4-(1-methylimidazol-4-yl)butan-1-one
CID 134368759
1-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-4-(2-methyl-1H-imidazol-5-yl)butane-1,4-dione
CID 121448799
1-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-4-hydroxy-4-(6-methoxy-3-pyridinyl)butan-1-one
CID 146265980
(3S)-4-(3-bromo-5-fluorophenyl)-3-methylpiperazine-1-carboxylic acid
CID 142800650
5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-(1H-pyrrol-3-yl)imidazolidine-2,4-dione
CID 141489087
5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-(2,5-dimethyl-1H-pyrrol-3-yl)imidazolidine-2,4-dione
CID 141489086
3-[(2S)-4-[3-(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)propanoyl]-2-methylpiperazin-1-yl]-5-fluorobenzonitrile
CID 121437613
1-(3-methyl-4-phenylpiperazin-1-yl)-4-(1,2,4-triazol-1-yl)butan-1-one
CID 136567714
1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 146043390
[3-(4-methylcyclohexyl)imidazol-4-yl]methanol
CID 66150398
5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid
CID 134069407
3-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-3-methylpyrrolidine-2,5-dione
CID 147941137

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropylimidazol-4-yl)-1-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3-cyclopropylimidazol-4-yl)-1-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]propan-1-one (CID 171432772) is 3-(3-cyclopropylimidazol-4-yl)-1-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-cyclopropylimidazol-4-yl)-1-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-cyclopropylimidazol-4-yl)-1-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]propan-1-one is C[C@H]1CN(C(=O)CCc2cncn2C2CC2)CCN1c1cc(F)cc(F)c1.
What is the InChIKey of 3-(3-cyclopropylimidazol-4-yl)-1-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]propan-1-one?
The InChIKey is HLRZGBHARFNCBI-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24F2N4O/c1-14-12-24(6-7-25(14)19-9-15(21)8-16(22)10-19)20(27)5-4-18-11-23-13-26(18)17-2-3-17/h8-11,13-14,17H,2-7,12H2,1H3/t14-/m0/s1.
What are the key properties of 3-(3-cyclopropylimidazol-4-yl)-1-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]propan-1-one?
3-(3-cyclopropylimidazol-4-yl)-1-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]propan-1-one has a molecular weight of 374.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropylimidazol-4-yl)-1-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 171432772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).