1-morpholin-4-yl-2-[4-[2-(2-oxoazocan-1-yl)acetyl]piperazin-1-yl]ethane-1,2-dione

C19H30N4O5 — CID 47039496

IUPAC1-morpholin-4-yl-2-[4-[2-(2-oxoazocan-1-yl)acetyl]piperazin-1-yl]ethane-1,2-dione
SMILESO=C(CN1CCCCCCC1=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H30N4O5/c24-16-5-3-1-2-4-6-23(16)15-17(25)20-7-9-21(10-8-20)18(26)19(27)22-11-13-28-14-12-22/h1-15H2
InChIKeyRLYJBRHEGMRPBJ-UHFFFAOYSA-N
MW394.47 g/mol
LogP-0.69
Rot. Bonds2

About 1-morpholin-4-yl-2-[4-[2-(2-oxoazocan-1-yl)acetyl]piperazin-1-yl]ethane-1,2-dione

1-morpholin-4-yl-2-[4-[2-(2-oxoazocan-1-yl)acetyl]piperazin-1-yl]ethane-1,2-dione (PubChem CID 47039496) has the molecular formula C19H30N4O5 and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-[2-(2-oxoazocan-1-yl)acetyl]piperazin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-[2-(2-oxoazocan-1-yl)acetyl]piperazin-1-yl]ethane-1,2-dione
PubChem CID47039496
Molecular FormulaC19H30N4O5
Molecular Weight394.47 g/mol
Exact Mass394.22
IUPAC Name1-morpholin-4-yl-2-[4-[2-(2-oxoazocan-1-yl)acetyl]piperazin-1-yl]ethane-1,2-dione
SMILESO=C(CN1CCCCCCC1=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H30N4O5/c24-16-5-3-1-2-4-6-23(16)15-17(25)20-7-9-21(10-8-20)18(26)19(27)22-11-13-28-14-12-22/h1-15H2
InChIKeyRLYJBRHEGMRPBJ-UHFFFAOYSA-N
XLogP-0.69
TPSA90.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-[2-(2-oxoazocan-1-yl)acetyl]piperazin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-morpholin-4-yl-2-[4-[2-(2-oxoazocan-1-yl)acetyl]piperazin-1-yl]ethane-1,2-dione (CID 47039496) is 1-morpholin-4-yl-2-[4-[2-(2-oxoazocan-1-yl)acetyl]piperazin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-[2-(2-oxoazocan-1-yl)acetyl]piperazin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-morpholin-4-yl-2-[4-[2-(2-oxoazocan-1-yl)acetyl]piperazin-1-yl]ethane-1,2-dione is O=C(CN1CCCCCCC1=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-[2-(2-oxoazocan-1-yl)acetyl]piperazin-1-yl]ethane-1,2-dione?
The InChIKey is RLYJBRHEGMRPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O5/c24-16-5-3-1-2-4-6-23(16)15-17(25)20-7-9-21(10-8-20)18(26)19(27)22-11-13-28-14-12-22/h1-15H2.
What are the key properties of 1-morpholin-4-yl-2-[4-[2-(2-oxoazocan-1-yl)acetyl]piperazin-1-yl]ethane-1,2-dione?
1-morpholin-4-yl-2-[4-[2-(2-oxoazocan-1-yl)acetyl]piperazin-1-yl]ethane-1,2-dione has a molecular weight of 394.47 g/mol, XLogP of -0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-[2-(2-oxoazocan-1-yl)acetyl]piperazin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 47039496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).