(3-fluoro-4-piperazin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone

C16H23FN4O — CID 59295895

IUPAC(3-fluoro-4-piperazin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(N3CCNCC3)c(F)c2)CC1
InChIInChI=1S/C16H23FN4O/c1-19-8-10-21(11-9-19)16(22)13-2-3-15(14(17)12-13)20-6-4-18-5-7-20/h2-3,12,18H,4-11H2,1H3
InChIKeyZQMKDQFFYVMFMK-UHFFFAOYSA-N
MW306.38 g/mol
LogP0.62
Rot. Bonds2

About (3-fluoro-4-piperazin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone

(3-fluoro-4-piperazin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 59295895) has the molecular formula C16H23FN4O and a molecular weight of 306.38 g/mol. Its IUPAC name is (3-fluoro-4-piperazin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-piperazin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone
PubChem CID59295895
Molecular FormulaC16H23FN4O
Molecular Weight306.38 g/mol
Exact Mass306.19
IUPAC Name(3-fluoro-4-piperazin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(N3CCNCC3)c(F)c2)CC1
InChIInChI=1S/C16H23FN4O/c1-19-8-10-21(11-9-19)16(22)13-2-3-15(14(17)12-13)20-6-4-18-5-7-20/h2-3,12,18H,4-11H2,1H3
InChIKeyZQMKDQFFYVMFMK-UHFFFAOYSA-N
XLogP0.62
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-3-fluorophenyl)-(4-methylpiperazin-1-yl)methanone
CID 103875464
(3-fluoro-4-pyrazol-1-ylphenyl)-piperazin-1-ylmethanone
CID 122135997
[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methanone
CID 119046124
(3-chloro-4-piperazin-1-ylphenyl)-(4-fluoro-4-methylpiperidin-1-yl)methanone
CID 174193797
1-[3-fluoro-4-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]ethanone
CID 18098126
(4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119032534
3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]benzonitrile
CID 822324
[3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-phenylmethanone
CID 1152760
2,2,2-trifluoroacetic acid;2,4,6-trimethyl-N-[5-(4-methylpiperazine-1-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide
CID 146059204
3-fluoro-N'-hydroxy-4-piperazin-1-ylbenzenecarboximidamide
CID 88870309
N-(3-fluoro-4-piperazin-1-ylphenyl)acetamide
CID 20785639
1-[4-[4-(1,5-dimethylpyrrole-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 31668550

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-piperazin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (3-fluoro-4-piperazin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone (CID 59295895) is (3-fluoro-4-piperazin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-fluoro-4-piperazin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (3-fluoro-4-piperazin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(N3CCNCC3)c(F)c2)CC1.
What is the InChIKey of (3-fluoro-4-piperazin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is ZQMKDQFFYVMFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O/c1-19-8-10-21(11-9-19)16(22)13-2-3-15(14(17)12-13)20-6-4-18-5-7-20/h2-3,12,18H,4-11H2,1H3.
What are the key properties of (3-fluoro-4-piperazin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone?
(3-fluoro-4-piperazin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 306.38 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-piperazin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 59295895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).