1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone

C17H28N2O2 — CID 107393709

IUPAC1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone
SMILESCCn1c(C)cc(C(=O)CN2CCCC(C)(OC)C2)c1C
InChIInChI=1S/C17H28N2O2/c1-6-19-13(2)10-15(14(19)3)16(20)11-18-9-7-8-17(4,12-18)21-5/h10H,6-9,11-12H2,1-5H3
InChIKeyCSKUNYOIYABAPG-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.81
Rot. Bonds5

About 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone

1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone (PubChem CID 107393709) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone
PubChem CID107393709
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone
SMILESCCn1c(C)cc(C(=O)CN2CCCC(C)(OC)C2)c1C
InChIInChI=1S/C17H28N2O2/c1-6-19-13(2)10-15(14(19)3)16(20)11-18-9-7-8-17(4,12-18)21-5/h10H,6-9,11-12H2,1-5H3
InChIKeyCSKUNYOIYABAPG-UHFFFAOYSA-N
XLogP2.81
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,4-dimethylpiperidin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 62923985
1-(2-ethoxyphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107393674
1-(3,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107393620
2-[3-(dimethylamino)piperidin-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 63933889
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 8871683
2-(3-methoxy-3-methylpiperidin-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 107393652
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 63609430
ethyl 3-(3-methoxy-3-methylpiperidin-1-yl)propanoate
CID 107393414
2-cyclopentyloxy-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 43799424
1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]azepan-2-one
CID 62023902
1-ethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7823937
2-(4-benzylsulfonylpiperazin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 8694219

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone (CID 107393709) is 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone is CCn1c(C)cc(C(=O)CN2CCCC(C)(OC)C2)c1C.
What is the InChIKey of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
The InChIKey is CSKUNYOIYABAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-19-13(2)10-15(14(19)3)16(20)11-18-9-7-8-17(4,12-18)21-5/h10H,6-9,11-12H2,1-5H3.
What are the key properties of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone has a molecular weight of 292.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 107393709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).