2-(4-methylpiperazin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone

C12H19N3O — CID 43226564

IUPAC2-(4-methylpiperazin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCN1CCN(CC(=O)c2cccn2C)CC1
InChIInChI=1S/C12H19N3O/c1-13-6-8-15(9-7-13)10-12(16)11-4-3-5-14(11)2/h3-5H,6-10H2,1-2H3
InChIKeyZPRLBSPEHWQGFQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.46
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone

2-(4-methylpiperazin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone (PubChem CID 43226564) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
PubChem CID43226564
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(4-methylpiperazin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCN1CCN(CC(=O)c2cccn2C)CC1
InChIInChI=1S/C12H19N3O/c1-13-6-8-15(9-7-13)10-12(16)11-4-3-5-14(11)2/h3-5H,6-10H2,1-2H3
InChIKeyZPRLBSPEHWQGFQ-UHFFFAOYSA-N
XLogP0.46
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydroxypyrrolidin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 106670312
1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 61242976
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 63163799
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 60972282
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 51675918
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 129428064
1-methylpyrrole-2-carboxylic acid;hydrochloride
CID 69426436
2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 104526087
N-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]piperidine-3-carboxamide
CID 113234331
2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 112841566
2-cyclopropyl-1-(1-methylpyrrol-2-yl)ethanone
CID 152565416
3-[2-(4-methylpiperazin-1-yl)acetyl]benzoic acid
CID 170861612

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone (CID 43226564) is 2-(4-methylpiperazin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone is CN1CCN(CC(=O)c2cccn2C)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone?
The InChIKey is ZPRLBSPEHWQGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-13-6-8-15(9-7-13)10-12(16)11-4-3-5-14(11)2/h3-5H,6-10H2,1-2H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone?
2-(4-methylpiperazin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone has a molecular weight of 221.30 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 43226564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).