4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazine-2,6-dione

C14H23N3O3 — CID 66069032

IUPAC4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)CC1CCCC(N)C1
InChIInChI=1S/C14H23N3O3/c1-14(2)13(20)16-11(18)8-17(14)12(19)7-9-4-3-5-10(15)6-9/h9-10H,3-8,15H2,1-2H3,(H,16,18,20)
InChIKeyYNMILCYEICQOCO-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.16
Rot. Bonds2

About 4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazine-2,6-dione

4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66069032) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
PubChem CID66069032
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)CC1CCCC(N)C1
InChIInChI=1S/C14H23N3O3/c1-14(2)13(20)16-11(18)8-17(14)12(19)7-9-4-3-5-10(15)6-9/h9-10H,3-8,15H2,1-2H3,(H,16,18,20)
InChIKeyYNMILCYEICQOCO-UHFFFAOYSA-N
XLogP0.16
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazine-2,6-dione (CID 66069032) is 4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1C(=O)CC1CCCC(N)C1.
What is the InChIKey of 4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is YNMILCYEICQOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-14(2)13(20)16-11(18)8-17(14)12(19)7-9-4-3-5-10(15)6-9/h9-10H,3-8,15H2,1-2H3,(H,16,18,20).
What are the key properties of 4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazine-2,6-dione?
4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 281.36 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66069032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).