2-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylethanone

C11H21N3O — CID 61226175

IUPAC2-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylethanone
SMILESCC1CCN(CC(=O)N2CCNCC2)C1
InChIInChI=1S/C11H21N3O/c1-10-2-5-13(8-10)9-11(15)14-6-3-12-4-7-14/h10,12H,2-9H2,1H3
InChIKeyWPDGMWWDZWEYDI-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.24
Rot. Bonds2

About 2-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylethanone

2-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylethanone (PubChem CID 61226175) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylethanone
PubChem CID61226175
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylethanone
SMILESCC1CCN(CC(=O)N2CCNCC2)C1
InChIInChI=1S/C11H21N3O/c1-10-2-5-13(8-10)9-11(15)14-6-3-12-4-7-14/h10,12H,2-9H2,1H3
InChIKeyWPDGMWWDZWEYDI-UHFFFAOYSA-N
XLogP-0.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981207
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-piperazin-1-ylethanone
CID 81491611
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-piperazin-1-ylethanone
CID 81199974
1-(1,4-diazepan-1-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 79175503
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
1-(1,4-diazepan-1-yl)-2-(3,4-dimethylpiperazin-1-yl)ethanone
CID 63611089
1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
CID 13057079
1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone
CID 54981545
ethane;2-(3-methylpyrrolidin-1-yl)acetic acid
CID 143851762
3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981105
1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one
CID 43229392
1-(4-ethylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 59555423

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylethanone (CID 61226175) is 2-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylethanone is CC1CCN(CC(=O)N2CCNCC2)C1.
What is the InChIKey of 2-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylethanone?
The InChIKey is WPDGMWWDZWEYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-10-2-5-13(8-10)9-11(15)14-6-3-12-4-7-14/h10,12H,2-9H2,1H3.
What are the key properties of 2-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylethanone?
2-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylethanone has a molecular weight of 211.31 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 61226175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).