4,4-dimethyl-2-methylimino-1-piperazin-1-ylpentan-1-one

C12H23N3O — CID 118118042

IUPAC4,4-dimethyl-2-methylimino-1-piperazin-1-ylpentan-1-one
SMILESC/N=C(\CC(C)(C)C)C(=O)N1CCNCC1
InChIInChI=1S/C12H23N3O/c1-12(2,3)9-10(13-4)11(16)15-7-5-14-6-8-15/h14H,5-9H2,1-4H3/b13-10+
InChIKeyHZVYRUPPYVICFG-JLHYYAGUSA-N
MW225.34 g/mol
LogP0.93
Rot. Bonds2

About 4,4-dimethyl-2-methylimino-1-piperazin-1-ylpentan-1-one

4,4-dimethyl-2-methylimino-1-piperazin-1-ylpentan-1-one (PubChem CID 118118042) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4,4-dimethyl-2-methylimino-1-piperazin-1-ylpentan-1-one.

Molecular Properties

Compound Name4,4-dimethyl-2-methylimino-1-piperazin-1-ylpentan-1-one
PubChem CID118118042
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4,4-dimethyl-2-methylimino-1-piperazin-1-ylpentan-1-one
SMILESC/N=C(\CC(C)(C)C)C(=O)N1CCNCC1
InChIInChI=1S/C12H23N3O/c1-12(2,3)9-10(13-4)11(16)15-7-5-14-6-8-15/h14H,5-9H2,1-4H3/b13-10+
InChIKeyHZVYRUPPYVICFG-JLHYYAGUSA-N
XLogP0.93
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-methylimino-1-piperazin-1-ylpentan-1-one?
The IUPAC name of 4,4-dimethyl-2-methylimino-1-piperazin-1-ylpentan-1-one (CID 118118042) is 4,4-dimethyl-2-methylimino-1-piperazin-1-ylpentan-1-one.
What is the SMILES notation for 4,4-dimethyl-2-methylimino-1-piperazin-1-ylpentan-1-one?
The canonical SMILES for 4,4-dimethyl-2-methylimino-1-piperazin-1-ylpentan-1-one is C/N=C(\CC(C)(C)C)C(=O)N1CCNCC1.
What is the InChIKey of 4,4-dimethyl-2-methylimino-1-piperazin-1-ylpentan-1-one?
The InChIKey is HZVYRUPPYVICFG-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(2,3)9-10(13-4)11(16)15-7-5-14-6-8-15/h14H,5-9H2,1-4H3/b13-10+.
What are the key properties of 4,4-dimethyl-2-methylimino-1-piperazin-1-ylpentan-1-one?
4,4-dimethyl-2-methylimino-1-piperazin-1-ylpentan-1-one has a molecular weight of 225.34 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-methylimino-1-piperazin-1-ylpentan-1-one is sourced from PubChem (CID 118118042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).