1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-(methylamino)propan-1-one

C12H24N4O2 — CID 62637512

IUPAC1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)N1CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C12H24N4O2/c1-10(13-2)12(18)16-7-5-15(6-8-16)11(17)9-14(3)4/h10,13H,5-9H2,1-4H3
InChIKeyYNJHNVJTKJGRCC-UHFFFAOYSA-N
MW256.35 g/mol
LogP-1.17
Rot. Bonds4

About 1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-(methylamino)propan-1-one

1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-(methylamino)propan-1-one (PubChem CID 62637512) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-(methylamino)propan-1-one
PubChem CID62637512
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)N1CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C12H24N4O2/c1-10(13-2)12(18)16-7-5-15(6-8-16)11(17)9-14(3)4/h10,13H,5-9H2,1-4H3
InChIKeyYNJHNVJTKJGRCC-UHFFFAOYSA-N
XLogP-1.17
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 54872708
2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 59553868
1-(azetidin-1-yl)-2-(methylamino)propan-1-one
CID 130546947
2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 76895179
5-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-methylpentan-1-one
CID 104684531
2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid
CID 62638618
ethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate
CID 60718933
2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid
CID 79615727
(2S)-2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-4-methylsulfanylbutan-1-one
CID 61165122
2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone
CID 59001118
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
2-(methylamino)-1-(4-methylidenepiperidin-1-yl)propan-1-one
CID 127006772

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-(methylamino)propan-1-one?
The IUPAC name of 1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-(methylamino)propan-1-one (CID 62637512) is 1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-(methylamino)propan-1-one?
The canonical SMILES for 1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-(methylamino)propan-1-one is CNC(C)C(=O)N1CCN(C(=O)CN(C)C)CC1.
What is the InChIKey of 1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-(methylamino)propan-1-one?
The InChIKey is YNJHNVJTKJGRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-10(13-2)12(18)16-7-5-15(6-8-16)11(17)9-14(3)4/h10,13H,5-9H2,1-4H3.
What are the key properties of 1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-(methylamino)propan-1-one?
1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-(methylamino)propan-1-one has a molecular weight of 256.35 g/mol, XLogP of -1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-(methylamino)propan-1-one is sourced from PubChem (CID 62637512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).