1-[3-(dimethylamino)pyrrolidin-1-yl]-2-piperazin-1-ylethanone

C12H24N4O — CID 55169216

IUPAC1-[3-(dimethylamino)pyrrolidin-1-yl]-2-piperazin-1-ylethanone
SMILESCN(C)C1CCN(C(=O)CN2CCNCC2)C1
InChIInChI=1S/C12H24N4O/c1-14(2)11-3-6-16(9-11)12(17)10-15-7-4-13-5-8-15/h11,13H,3-10H2,1-2H3
InChIKeyKSPJVWAYIFSSQG-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.95
Rot. Bonds3

About 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-piperazin-1-ylethanone

1-[3-(dimethylamino)pyrrolidin-1-yl]-2-piperazin-1-ylethanone (PubChem CID 55169216) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-[3-(dimethylamino)pyrrolidin-1-yl]-2-piperazin-1-ylethanone
PubChem CID55169216
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name1-[3-(dimethylamino)pyrrolidin-1-yl]-2-piperazin-1-ylethanone
SMILESCN(C)C1CCN(C(=O)CN2CCNCC2)C1
InChIInChI=1S/C12H24N4O/c1-14(2)11-3-6-16(9-11)12(17)10-15-7-4-13-5-8-15/h11,13H,3-10H2,1-2H3
InChIKeyKSPJVWAYIFSSQG-UHFFFAOYSA-N
XLogP-0.95
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-piperazin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,4-diazepan-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 63166632
1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone
CID 54981545
1-[4-(diethylamino)piperidin-1-yl]-2-piperazin-1-ylethanone
CID 60954210
3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164681
2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 55246948
1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-piperazin-1-ylethanone
CID 60953267
2-(1,4-diazepan-1-yl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanone
CID 81464952
1-[3-(dimethylamino)pyrrolidin-1-yl]-3-piperidin-3-ylpropan-1-one
CID 63167273
2-(1,4-diazepan-1-yl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64598090
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 175826880
N-cyclopentyl-N-methyl-2-piperazin-1-ylacetamide
CID 43267406
(3S)-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylic acid
CID 81125395

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-piperazin-1-ylethanone?
The IUPAC name of 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-piperazin-1-ylethanone (CID 55169216) is 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-piperazin-1-ylethanone?
The canonical SMILES for 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-piperazin-1-ylethanone is CN(C)C1CCN(C(=O)CN2CCNCC2)C1.
What is the InChIKey of 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-piperazin-1-ylethanone?
The InChIKey is KSPJVWAYIFSSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-14(2)11-3-6-16(9-11)12(17)10-15-7-4-13-5-8-15/h11,13H,3-10H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-piperazin-1-ylethanone?
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-piperazin-1-ylethanone has a molecular weight of 240.35 g/mol, XLogP of -0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-piperazin-1-ylethanone is sourced from PubChem (CID 55169216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).