3-(2,3-difluorophenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one

C15H20F2N2O — CID 119560045

IUPAC3-(2,3-difluorophenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
SMILESCNC1CCN(C(=O)CCc2cccc(F)c2F)CC1
InChIInChI=1S/C15H20F2N2O/c1-18-12-7-9-19(10-8-12)14(20)6-5-11-3-2-4-13(16)15(11)17/h2-4,12,18H,5-10H2,1H3
InChIKeyNNVVMBFKDJPIIH-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.11
Rot. Bonds4

About 3-(2,3-difluorophenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one

3-(2,3-difluorophenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one (PubChem CID 119560045) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
PubChem CID119560045
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name3-(2,3-difluorophenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
SMILESCNC1CCN(C(=O)CCc2cccc(F)c2F)CC1
InChIInChI=1S/C15H20F2N2O/c1-18-12-7-9-19(10-8-12)14(20)6-5-11-3-2-4-13(16)15(11)17/h2-4,12,18H,5-10H2,1H3
InChIKeyNNVVMBFKDJPIIH-UHFFFAOYSA-N
XLogP2.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one
CID 83925483
2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260723
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822692
1-[4-(methylamino)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one
CID 119562922
1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 54923675
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide
CID 110822698
1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-3-propylurea
CID 110822705
2-[(2,3-difluorophenyl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 78820307
2-(2,6-difluorophenyl)-1-[3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119413951
3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 54923480
1-[4-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119559786
3-(2-fluorophenyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one
CID 110721311

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2,3-difluorophenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one (CID 119560045) is 3-(2,3-difluorophenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2,3-difluorophenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2,3-difluorophenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one is CNC1CCN(C(=O)CCc2cccc(F)c2F)CC1.
What is the InChIKey of 3-(2,3-difluorophenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one?
The InChIKey is NNVVMBFKDJPIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-18-12-7-9-19(10-8-12)14(20)6-5-11-3-2-4-13(16)15(11)17/h2-4,12,18H,5-10H2,1H3.
What are the key properties of 3-(2,3-difluorophenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one?
3-(2,3-difluorophenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one has a molecular weight of 282.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119560045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).