2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone

C12H23N3O2 — CID 103897872

IUPAC2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN2CCC(C)(O)C2)CC1
InChIInChI=1S/C12H23N3O2/c1-12(17)3-4-14(10-12)9-11(16)15-7-5-13(2)6-8-15/h17H,3-10H2,1-2H3
InChIKeyJJWOXXGTUYVEQE-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.78
Rot. Bonds2

About 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone

2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 103897872) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID103897872
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN2CCC(C)(O)C2)CC1
InChIInChI=1S/C12H23N3O2/c1-12(17)3-4-14(10-12)9-11(16)15-7-5-13(2)6-8-15/h17H,3-10H2,1-2H3
InChIKeyJJWOXXGTUYVEQE-UHFFFAOYSA-N
XLogP-0.78
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115873988
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103728470
3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one
CID 103358031
methyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanoate
CID 103729366
N,N-diethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728785
methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
methyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate
CID 103728689
N-cyclopropyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728808
N-cyclopropyl-N-ethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728655
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103728544
ethane;2-[4-(methylamino)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 156836891

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone (CID 103897872) is 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CN2CCC(C)(O)C2)CC1.
What is the InChIKey of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is JJWOXXGTUYVEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(17)3-4-14(10-12)9-11(16)15-7-5-13(2)6-8-15/h17H,3-10H2,1-2H3.
What are the key properties of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 241.33 g/mol, XLogP of -0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 103897872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).