1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)-2-(methylamino)ethanone

C16H24N2O3 — CID 117472207

IUPAC1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(OC)c(N2CCCCC2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-17-11-14(19)12-9-16(21-3)13(10-15(12)20-2)18-7-5-4-6-8-18/h9-10,17H,4-8,11H2,1-3H3
InChIKeySALCCUNLOSNLNO-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.10
Rot. Bonds6

About 1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)-2-(methylamino)ethanone

1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)-2-(methylamino)ethanone (PubChem CID 117472207) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)-2-(methylamino)ethanone
PubChem CID117472207
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(OC)c(N2CCCCC2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-17-11-14(19)12-9-16(21-3)13(10-15(12)20-2)18-7-5-4-6-8-18/h9-10,17H,4-8,11H2,1-3H3
InChIKeySALCCUNLOSNLNO-UHFFFAOYSA-N
XLogP2.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone
CID 117374092
1-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone
CID 117108338
2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methylethanamine
CID 117415704
1-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanone
CID 117426481
2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propanoic acid
CID 117473385
4-(2,5-dimethoxy-4-piperidin-1-ylphenyl)butanoic acid
CID 117492352
4,5-dimethoxy-2-piperidin-1-ylaniline
CID 616846
2-methoxy-5-nitro-4-piperidin-1-ylbenzohydrazide
CID 50879598
(2S)-2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)acetic acid
CID 66513276
1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone
CID 117381240
2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol
CID 117381555
methyl 4,5-diethoxy-2-pyrrolidin-1-ylbenzoate
CID 168515148

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)-2-(methylamino)ethanone (CID 117472207) is 1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1cc(OC)c(N2CCCCC2)cc1OC.
What is the InChIKey of 1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)-2-(methylamino)ethanone?
The InChIKey is SALCCUNLOSNLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-17-11-14(19)12-9-16(21-3)13(10-15(12)20-2)18-7-5-4-6-8-18/h9-10,17H,4-8,11H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)-2-(methylamino)ethanone?
1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)-2-(methylamino)ethanone has a molecular weight of 292.38 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117472207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).