1-(3-oxopiperazin-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione

C17H23N5O3 — CID 127255241

IUPAC1-(3-oxopiperazin-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione
SMILESO=C1CN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)CCN1
InChIInChI=1S/C17H23N5O3/c23-15-13-22(8-7-19-15)17(25)5-4-16(24)21-11-9-20(10-12-21)14-3-1-2-6-18-14/h1-3,6H,4-5,7-13H2,(H,19,23)
InChIKeyPJVUEYXKQSCSAG-UHFFFAOYSA-N
MW345.40 g/mol
LogP-0.53
Rot. Bonds4

About 1-(3-oxopiperazin-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione

1-(3-oxopiperazin-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione (PubChem CID 127255241) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-(3-oxopiperazin-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-(3-oxopiperazin-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione
PubChem CID127255241
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name1-(3-oxopiperazin-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione
SMILESO=C1CN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)CCN1
InChIInChI=1S/C17H23N5O3/c23-15-13-22(8-7-19-15)17(25)5-4-16(24)21-11-9-20(10-12-21)14-3-1-2-6-18-14/h1-3,6H,4-5,7-13H2,(H,19,23)
InChIKeyPJVUEYXKQSCSAG-UHFFFAOYSA-N
XLogP-0.53
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-oxopiperazin-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione with MolForge

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Related Compounds

4-(2-pyridin-2-ylacetyl)piperazin-2-one
CID 62850564
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119402906
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 164610328
4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-2-one
CID 47246051
3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60842626
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
(3aS,7aS)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7974830
(3aS,7aS)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 92543665

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxopiperazin-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione?
The IUPAC name of 1-(3-oxopiperazin-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione (CID 127255241) is 1-(3-oxopiperazin-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione.
What is the SMILES notation for 1-(3-oxopiperazin-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione?
The canonical SMILES for 1-(3-oxopiperazin-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione is O=C1CN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)CCN1.
What is the InChIKey of 1-(3-oxopiperazin-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione?
The InChIKey is PJVUEYXKQSCSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c23-15-13-22(8-7-19-15)17(25)5-4-16(24)21-11-9-20(10-12-21)14-3-1-2-6-18-14/h1-3,6H,4-5,7-13H2,(H,19,23).
What are the key properties of 1-(3-oxopiperazin-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione?
1-(3-oxopiperazin-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione has a molecular weight of 345.40 g/mol, XLogP of -0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxopiperazin-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione is sourced from PubChem (CID 127255241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).