1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone

C13H20N2O2 — CID 115276524

IUPAC1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone
SMILESCC1(C)CN(C(=O)Cc2ccc[nH]2)CCC1O
InChIInChI=1S/C13H20N2O2/c1-13(2)9-15(7-5-11(13)16)12(17)8-10-4-3-6-14-10/h3-4,6,11,14,16H,5,7-9H2,1-2H3
InChIKeyASNNOCNBPICOKF-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.18
Rot. Bonds2

About 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone

1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone (PubChem CID 115276524) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone
PubChem CID115276524
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone
SMILESCC1(C)CN(C(=O)Cc2ccc[nH]2)CCC1O
InChIInChI=1S/C13H20N2O2/c1-13(2)9-15(7-5-11(13)16)12(17)8-10-4-3-6-14-10/h3-4,6,11,14,16H,5,7-9H2,1-2H3
InChIKeyASNNOCNBPICOKF-UHFFFAOYSA-N
XLogP1.18
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-pyrrol-2-yl)-1-[4-[2-(1H-pyrrol-2-yl)acetyl]piperazin-1-yl]ethanone
CID 110815927
1-[4-[2-(1H-pyrrol-2-yl)acetyl]piperazin-1-yl]butan-1-one
CID 110800161
methyl 4-[2-(1H-pyrrol-2-yl)acetyl]piperazine-1-carboxylate
CID 110803431
1-(3-aminopiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone
CID 115277206
1-(2,8-diazaspiro[4.5]decan-8-yl)-2-(1H-pyrrol-2-yl)ethanone
CID 115276479
N-cyclopentyl-4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813914
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(1H-pyrrol-2-yl)ethanone
CID 110801256
1-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-(1H-pyrrol-2-yl)ethanone
CID 110808075
ethyl 1-[2-(1H-pyrrol-2-yl)acetyl]piperidine-3-carboxylate
CID 110690844
1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 115275806
2-(2-methoxyphenyl)-1-[4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110809785
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-(1H-pyrrol-2-yl)ethanone
CID 110802313

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone (CID 115276524) is 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone is CC1(C)CN(C(=O)Cc2ccc[nH]2)CCC1O.
What is the InChIKey of 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone?
The InChIKey is ASNNOCNBPICOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2)9-15(7-5-11(13)16)12(17)8-10-4-3-6-14-10/h3-4,6,11,14,16H,5,7-9H2,1-2H3.
What are the key properties of 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone?
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone has a molecular weight of 236.31 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 115276524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).