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

C12H23N3O2 — CID 83634925

IUPAC2,2-dimethyl-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]propan-1-one
SMILESCNCC(=O)N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H23N3O2/c1-12(2,3)11(17)15-7-5-14(6-8-15)10(16)9-13-4/h13H,5-9H2,1-4H3
InChIKeyKSVZILGCAUCVHN-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.08
Rot. Bonds2

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

2,2-dimethyl-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]propan-1-one (PubChem CID 83634925) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]propan-1-one
PubChem CID83634925
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2,2-dimethyl-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]propan-1-one
SMILESCNCC(=O)N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H23N3O2/c1-12(2,3)11(17)15-7-5-14(6-8-15)10(16)9-13-4/h13H,5-9H2,1-4H3
InChIKeyKSVZILGCAUCVHN-UHFFFAOYSA-N
XLogP-0.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]propan-1-one (CID 83634925) is 2,2-dimethyl-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]propan-1-one is CNCC(=O)N1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]propan-1-one?
The InChIKey is KSVZILGCAUCVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(2,3)11(17)15-7-5-14(6-8-15)10(16)9-13-4/h13H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]propan-1-one has a molecular weight of 241.33 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 83634925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).