2-[4-(dimethylamino)piperidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone

C13H21N3O — CID 43797318

IUPAC2-[4-(dimethylamino)piperidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone
SMILESCN(C)C1CCN(CC(=O)c2ccc[nH]2)CC1
InChIInChI=1S/C13H21N3O/c1-15(2)11-5-8-16(9-6-11)10-13(17)12-4-3-7-14-12/h3-4,7,11,14H,5-6,8-10H2,1-2H3
InChIKeyLEUQWRNATNCEFN-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.22
Rot. Bonds4

About 2-[4-(dimethylamino)piperidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone

2-[4-(dimethylamino)piperidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 43797318) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[4-(dimethylamino)piperidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-[4-(dimethylamino)piperidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone
PubChem CID43797318
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[4-(dimethylamino)piperidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone
SMILESCN(C)C1CCN(CC(=O)c2ccc[nH]2)CC1
InChIInChI=1S/C13H21N3O/c1-15(2)11-5-8-16(9-6-11)10-13(17)12-4-3-7-14-12/h3-4,7,11,14H,5-6,8-10H2,1-2H3
InChIKeyLEUQWRNATNCEFN-UHFFFAOYSA-N
XLogP1.22
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 62068152
2-(3-methoxypyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 103535592
2-(3-propan-2-ylpyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 115688439
2-(4,4-dimethylazepan-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 65282626
2-(3-methylpiperidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 43219442
2-(4-methyl-1,4-diazepan-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 43219820
2-(3-methylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone;hydrochloride
CID 71639358
2-[3-(hydroxymethyl)azetidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone
CID 71650111
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 107456944
2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone
CID 43797315
2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1H-pyrrol-2-yl)ethanone
CID 60649956
tert-butyl N-[[(3S)-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 97174691

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone (CID 43797318) is 2-[4-(dimethylamino)piperidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-[4-(dimethylamino)piperidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-[4-(dimethylamino)piperidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone is CN(C)C1CCN(CC(=O)c2ccc[nH]2)CC1.
What is the InChIKey of 2-[4-(dimethylamino)piperidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is LEUQWRNATNCEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15(2)11-5-8-16(9-6-11)10-13(17)12-4-3-7-14-12/h3-4,7,11,14H,5-6,8-10H2,1-2H3.
What are the key properties of 2-[4-(dimethylamino)piperidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone?
2-[4-(dimethylamino)piperidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 235.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)piperidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 43797318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).