[3,5-difluoro-4-(propylamino)phenyl]-(4-methylpiperazin-1-yl)methanone

C15H21F2N3O — CID 63187434

IUPAC[3,5-difluoro-4-(propylamino)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCCCNc1c(F)cc(C(=O)N2CCN(C)CC2)cc1F
InChIInChI=1S/C15H21F2N3O/c1-3-4-18-14-12(16)9-11(10-13(14)17)15(21)20-7-5-19(2)6-8-20/h9-10,18H,3-8H2,1-2H3
InChIKeyZIXSQCOIWGYRFO-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.17
Rot. Bonds4

About [3,5-difluoro-4-(propylamino)phenyl]-(4-methylpiperazin-1-yl)methanone

[3,5-difluoro-4-(propylamino)phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 63187434) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is [3,5-difluoro-4-(propylamino)phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3,5-difluoro-4-(propylamino)phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID63187434
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name[3,5-difluoro-4-(propylamino)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCCCNc1c(F)cc(C(=O)N2CCN(C)CC2)cc1F
InChIInChI=1S/C15H21F2N3O/c1-3-4-18-14-12(16)9-11(10-13(14)17)15(21)20-7-5-19(2)6-8-20/h9-10,18H,3-8H2,1-2H3
InChIKeyZIXSQCOIWGYRFO-UHFFFAOYSA-N
XLogP2.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(ethylamino)-3,5-difluorophenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 63183541
(3,5-difluoro-4-hydrazinylphenyl)-(4-propylpiperazin-1-yl)methanone
CID 63186501
[3,5-difluoro-4-(propylamino)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 63183625
(3,5-difluoro-4-hydrazinylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 63185956
[3-fluoro-2-(propylamino)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62650348
[3,5-difluoro-4-(propylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 63187265
3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide
CID 83016826
3,5-difluoro-N-morpholin-4-yl-4-(propylamino)benzamide
CID 83016710
(3,5-difluoro-4-hydrazinylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 63185912
(4-methylpiperazin-1-yl)-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
CID 109318879
3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050294
(4-chloro-3-fluorophenyl)-(4-methylpiperazin-1-yl)methanone
CID 103875464

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(propylamino)phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [3,5-difluoro-4-(propylamino)phenyl]-(4-methylpiperazin-1-yl)methanone (CID 63187434) is [3,5-difluoro-4-(propylamino)phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3,5-difluoro-4-(propylamino)phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3,5-difluoro-4-(propylamino)phenyl]-(4-methylpiperazin-1-yl)methanone is CCCNc1c(F)cc(C(=O)N2CCN(C)CC2)cc1F.
What is the InChIKey of [3,5-difluoro-4-(propylamino)phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is ZIXSQCOIWGYRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-3-4-18-14-12(16)9-11(10-13(14)17)15(21)20-7-5-19(2)6-8-20/h9-10,18H,3-8H2,1-2H3.
What are the key properties of [3,5-difluoro-4-(propylamino)phenyl]-(4-methylpiperazin-1-yl)methanone?
[3,5-difluoro-4-(propylamino)phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 297.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(propylamino)phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 63187434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).