4-[2-(cyclopentylamino)acetyl]-3-ethylpiperazine-2,6-dione

C13H21N3O3 — CID 66067412

IUPAC4-[2-(cyclopentylamino)acetyl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)CNC1CCCC1
InChIInChI=1S/C13H21N3O3/c1-2-10-13(19)15-11(17)8-16(10)12(18)7-14-9-5-3-4-6-9/h9-10,14H,2-8H2,1H3,(H,15,17,19)
InChIKeyWUNYXXDOEIURLW-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.22
Rot. Bonds4

About 4-[2-(cyclopentylamino)acetyl]-3-ethylpiperazine-2,6-dione

4-[2-(cyclopentylamino)acetyl]-3-ethylpiperazine-2,6-dione (PubChem CID 66067412) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[2-(cyclopentylamino)acetyl]-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(cyclopentylamino)acetyl]-3-ethylpiperazine-2,6-dione
PubChem CID66067412
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-[2-(cyclopentylamino)acetyl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)CNC1CCCC1
InChIInChI=1S/C13H21N3O3/c1-2-10-13(19)15-11(17)8-16(10)12(18)7-14-9-5-3-4-6-9/h9-10,14H,2-8H2,1H3,(H,15,17,19)
InChIKeyWUNYXXDOEIURLW-UHFFFAOYSA-N
XLogP-0.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.22
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-(cyclopentylamino)acetyl]-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-[2-(cyclopentylamino)acetyl]-3-ethylpiperazine-2,6-dione (CID 66067412) is 4-[2-(cyclopentylamino)acetyl]-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[2-(cyclopentylamino)acetyl]-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-[2-(cyclopentylamino)acetyl]-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)CNC1CCCC1.
What is the InChIKey of 4-[2-(cyclopentylamino)acetyl]-3-ethylpiperazine-2,6-dione?
The InChIKey is WUNYXXDOEIURLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-10-13(19)15-11(17)8-16(10)12(18)7-14-9-5-3-4-6-9/h9-10,14H,2-8H2,1H3,(H,15,17,19).
What are the key properties of 4-[2-(cyclopentylamino)acetyl]-3-ethylpiperazine-2,6-dione?
4-[2-(cyclopentylamino)acetyl]-3-ethylpiperazine-2,6-dione has a molecular weight of 267.33 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopentylamino)acetyl]-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66067412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).