2-(4,4-dimethylpiperidin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone

C17H28N2O — CID 62923985

IUPAC2-(4,4-dimethylpiperidin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
SMILESCCn1c(C)cc(C(=O)CN2CCC(C)(C)CC2)c1C
InChIInChI=1S/C17H28N2O/c1-6-19-13(2)11-15(14(19)3)16(20)12-18-9-7-17(4,5)8-10-18/h11H,6-10,12H2,1-5H3
InChIKeyUSLVUDCDWKZDRO-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.43
Rot. Bonds4

About 2-(4,4-dimethylpiperidin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone

2-(4,4-dimethylpiperidin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone (PubChem CID 62923985) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
PubChem CID62923985
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
SMILESCCn1c(C)cc(C(=O)CN2CCC(C)(C)CC2)c1C
InChIInChI=1S/C17H28N2O/c1-6-19-13(2)11-15(14(19)3)16(20)12-18-9-7-17(4,5)8-10-18/h11H,6-10,12H2,1-5H3
InChIKeyUSLVUDCDWKZDRO-UHFFFAOYSA-N
XLogP3.43
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107393709
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 63609430
2-[3-(dimethylamino)piperidin-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 63933889
2-(4,4-dimethylcyclohexyl)oxy-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 114341619
N-[1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide
CID 33108267
2-(4,4-dimethylazepan-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 65282532
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 8871683
2-(4-benzylsulfonylpiperazin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 8694219
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
1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178976

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone (CID 62923985) is 2-(4,4-dimethylpiperidin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone is CCn1c(C)cc(C(=O)CN2CCC(C)(C)CC2)c1C.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone?
The InChIKey is USLVUDCDWKZDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-19-13(2)11-15(14(19)3)16(20)12-18-9-7-17(4,5)8-10-18/h11H,6-10,12H2,1-5H3.
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone?
2-(4,4-dimethylpiperidin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone has a molecular weight of 276.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 62923985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).