1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-hydroxypiperidin-1-yl)ethanone

C13H20N2O2 — CID 60712935

IUPAC1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
SMILESCc1cc(C(=O)CN2CCC(O)CC2)c(C)[nH]1
InChIInChI=1S/C13H20N2O2/c1-9-7-12(10(2)14-9)13(17)8-15-5-3-11(16)4-6-15/h7,11,14,16H,3-6,8H2,1-2H3
InChIKeyLQCFBUPNYFCVHL-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.27
Rot. Bonds3

About 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-hydroxypiperidin-1-yl)ethanone

1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 60712935) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
PubChem CID60712935
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
SMILESCc1cc(C(=O)CN2CCC(O)CC2)c(C)[nH]1
InChIInChI=1S/C13H20N2O2/c1-9-7-12(10(2)14-9)13(17)8-15-5-3-11(16)4-6-15/h7,11,14,16H,3-6,8H2,1-2H3
InChIKeyLQCFBUPNYFCVHL-UHFFFAOYSA-N
XLogP1.27
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(3-phenylpyrrolidin-1-yl)ethanone
CID 62070394
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
CID 63296935
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanone
CID 62734991
2-(4-butan-2-ylpiperazin-1-yl)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 62775217
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(2-ethylmorpholin-4-yl)ethanone
CID 43432347
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(2-oxa-6-azatricyclo[3.3.1.13,7]decan-6-yl)ethanone
CID 175846730
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 110659639
1-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 37405634
4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 110659634
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 66055638
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(2,3-dimethylthiomorpholin-4-yl)ethanone
CID 115927684
2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 110659703

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-hydroxypiperidin-1-yl)ethanone (CID 60712935) is 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-hydroxypiperidin-1-yl)ethanone is Cc1cc(C(=O)CN2CCC(O)CC2)c(C)[nH]1.
What is the InChIKey of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is LQCFBUPNYFCVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-7-12(10(2)14-9)13(17)8-15-5-3-11(16)4-6-15/h7,11,14,16H,3-6,8H2,1-2H3.
What are the key properties of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-hydroxypiperidin-1-yl)ethanone?
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 236.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 60712935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).