2-(3-methoxypiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

C15H24N2O2 — CID 113231238

IUPAC2-(3-methoxypiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCOC1CCCN(CC(=O)c2cc(C)n(C)c2C)C1
InChIInChI=1S/C15H24N2O2/c1-11-8-14(12(2)16(11)3)15(18)10-17-7-5-6-13(9-17)19-4/h8,13H,5-7,9-10H2,1-4H3
InChIKeyLHMRRSGASIGWGL-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.94
Rot. Bonds4

About 2-(3-methoxypiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-(3-methoxypiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 113231238) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(3-methoxypiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-methoxypiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID113231238
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(3-methoxypiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCOC1CCCN(CC(=O)c2cc(C)n(C)c2C)C1
InChIInChI=1S/C15H24N2O2/c1-11-8-14(12(2)16(11)3)15(18)10-17-7-5-6-13(9-17)19-4/h8,13H,5-7,9-10H2,1-4H3
InChIKeyLHMRRSGASIGWGL-UHFFFAOYSA-N
XLogP1.94
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 79943101
2-[4-(methoxymethyl)piperidin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 63972915
1-(2-methoxy-4-methylphenyl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960703
2-(4-aminopiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 62030350
1-(2,5-dibromothiophen-3-yl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960626
1-(4-bromophenyl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960713
1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960760
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone;tungsten
CID 158270331
1-(5-bromothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960675
N-cyclohexyl-4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxamide
CID 110658659
2-(3-methoxypiperidin-1-yl)-N-methylacetamide
CID 130708427
2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 6363549

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(3-methoxypiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 113231238) is 2-(3-methoxypiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(3-methoxypiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(3-methoxypiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is COC1CCCN(CC(=O)c2cc(C)n(C)c2C)C1.
What is the InChIKey of 2-(3-methoxypiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is LHMRRSGASIGWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-8-14(12(2)16(11)3)15(18)10-17-7-5-6-13(9-17)19-4/h8,13H,5-7,9-10H2,1-4H3.
What are the key properties of 2-(3-methoxypiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
2-(3-methoxypiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 264.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 113231238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).