3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one

C9H17N3O2 — CID 63606213

IUPAC3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one
SMILESCNCC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C9H17N3O2/c1-9(2)8(14)11-4-5-12(9)7(13)6-10-3/h10H,4-6H2,1-3H3,(H,11,14)
InChIKeyNXBLQOUBLFQRIV-UHFFFAOYSA-N
MW199.25 g/mol
LogP-1.06
Rot. Bonds2

About 3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one

3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one (PubChem CID 63606213) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one
PubChem CID63606213
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one
SMILESCNCC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C9H17N3O2/c1-9(2)8(14)11-4-5-12(9)7(13)6-10-3/h10H,4-6H2,1-3H3,(H,11,14)
InChIKeyNXBLQOUBLFQRIV-UHFFFAOYSA-N
XLogP-1.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one (CID 63606213) is 3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one is CNCC(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of 3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one?
The InChIKey is NXBLQOUBLFQRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-9(2)8(14)11-4-5-12(9)7(13)6-10-3/h10H,4-6H2,1-3H3,(H,11,14).
What are the key properties of 3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one?
3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one has a molecular weight of 199.25 g/mol, XLogP of -1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one is sourced from PubChem (CID 63606213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).