1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one

C19H26FNO2 — CID 21461155

IUPAC1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1cc2c(cc1F)CCC2C1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C19H26FNO2/c1-12(2)19(22)21-8-6-13(7-9-21)15-5-4-14-10-17(20)18(23-3)11-16(14)15/h10-13,15H,4-9H2,1-3H3
InChIKeyXBPFAPSDJKOGNW-UHFFFAOYSA-N
MW319.42 g/mol
LogP3.76
Rot. Bonds3

About 1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one

1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 21461155) has the molecular formula C19H26FNO2 and a molecular weight of 319.42 g/mol. Its IUPAC name is 1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID21461155
Molecular FormulaC19H26FNO2
Molecular Weight319.42 g/mol
Exact Mass319.19
IUPAC Name1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1cc2c(cc1F)CCC2C1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C19H26FNO2/c1-12(2)19(22)21-8-6-13(7-9-21)15-5-4-14-10-17(20)18(23-3)11-16(14)15/h10-13,15H,4-9H2,1-3H3
InChIKeyXBPFAPSDJKOGNW-UHFFFAOYSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]propan-1-one
CID 21461194
5-fluoro-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 126986909
2-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-methylacetamide
CID 139706630
N-(3,4-dimethoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32676956
methyl 2,6-difluoro-4-[1-(2-methylpropanoyl)piperidin-4-yl]benzoate
CID 170757806
1-[(1S)-1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one
CID 92761758
1-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]-2-methylpropan-1-one
CID 176811840
6-fluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 22000970
5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32541177
1-(6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-ethylbutan-1-one
CID 46095774
(6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(2-fluorophenyl)methanone
CID 110289323
[4-(1-aminoethyl)piperidin-1-yl]-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 119517185

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one (CID 21461155) is 1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one is COc1cc2c(cc1F)CCC2C1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is XBPFAPSDJKOGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO2/c1-12(2)19(22)21-8-6-13(7-9-21)15-5-4-14-10-17(20)18(23-3)11-16(14)15/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one?
1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 319.42 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 21461155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).