[3,5-difluoro-4-(propylamino)phenyl]-(2-methylpiperidin-1-yl)methanone

C16H22F2N2O — CID 63187265

IUPAC[3,5-difluoro-4-(propylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
SMILESCCCNc1c(F)cc(C(=O)N2CCCCC2C)cc1F
InChIInChI=1S/C16H22F2N2O/c1-3-7-19-15-13(17)9-12(10-14(15)18)16(21)20-8-5-4-6-11(20)2/h9-11,19H,3-8H2,1-2H3
InChIKeyNSYCNRJITKXSAA-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.80
Rot. Bonds4

About [3,5-difluoro-4-(propylamino)phenyl]-(2-methylpiperidin-1-yl)methanone

[3,5-difluoro-4-(propylamino)phenyl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 63187265) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is [3,5-difluoro-4-(propylamino)phenyl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3,5-difluoro-4-(propylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
PubChem CID63187265
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name[3,5-difluoro-4-(propylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
SMILESCCCNc1c(F)cc(C(=O)N2CCCCC2C)cc1F
InChIInChI=1S/C16H22F2N2O/c1-3-7-19-15-13(17)9-12(10-14(15)18)16(21)20-8-5-4-6-11(20)2/h9-11,19H,3-8H2,1-2H3
InChIKeyNSYCNRJITKXSAA-UHFFFAOYSA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(propylamino)phenyl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [3,5-difluoro-4-(propylamino)phenyl]-(2-methylpiperidin-1-yl)methanone (CID 63187265) is [3,5-difluoro-4-(propylamino)phenyl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3,5-difluoro-4-(propylamino)phenyl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3,5-difluoro-4-(propylamino)phenyl]-(2-methylpiperidin-1-yl)methanone is CCCNc1c(F)cc(C(=O)N2CCCCC2C)cc1F.
What is the InChIKey of [3,5-difluoro-4-(propylamino)phenyl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is NSYCNRJITKXSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-3-7-19-15-13(17)9-12(10-14(15)18)16(21)20-8-5-4-6-11(20)2/h9-11,19H,3-8H2,1-2H3.
What are the key properties of [3,5-difluoro-4-(propylamino)phenyl]-(2-methylpiperidin-1-yl)methanone?
[3,5-difluoro-4-(propylamino)phenyl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 296.36 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(propylamino)phenyl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 63187265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).