methane;3-(6-oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione

C14H21N5O3 — CID 142367643

IUPACmethane;3-(6-oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione
SMILESC.O=C1CCC(n2cnc(N3CCNCC3)cc2=O)C(=O)N1
InChIInChI=1S/C13H17N5O3.CH4/c19-11-2-1-9(13(21)16-11)18-8-15-10(7-12(18)20)17-5-3-14-4-6-17;/h7-9,14H,1-6H2,(H,16,19,21);1H4
InChIKeyQEEGPFIIMRZJEC-UHFFFAOYSA-N
MW307.35 g/mol
LogP-0.73
Rot. Bonds2

About methane;3-(6-oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione

methane;3-(6-oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione (PubChem CID 142367643) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is methane;3-(6-oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Namemethane;3-(6-oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione
PubChem CID142367643
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Namemethane;3-(6-oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione
SMILESC.O=C1CCC(n2cnc(N3CCNCC3)cc2=O)C(=O)N1
InChIInChI=1S/C13H17N5O3.CH4/c19-11-2-1-9(13(21)16-11)18-8-15-10(7-12(18)20)17-5-3-14-4-6-17;/h7-9,14H,1-6H2,(H,16,19,21);1H4
InChIKeyQEEGPFIIMRZJEC-UHFFFAOYSA-N
XLogP-0.73
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methane;3-(6-oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione with MolForge

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Related Compounds

3-(4-Fluoro-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 155219511
Tert-butyl 4-[1-(2,6-dioxopiperidin-3-yl)-6-oxopyrimidin-4-yl]piperazine-1-carboxylate
CID 134580134
3-(6-Oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione
CID 134580135
3-(6-Oxopyrimidin-1-yl)piperidine-2,6-dione
CID 138467610
3-(4-Bromo-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 142367462
3-(5-Amino-4-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione;ethane
CID 177998536
3-(5-Amino-4-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione;ethane
CID 177998681
4-[(6-Oxo-1,6-dihydropyrimidin-1-yl)methyl]-[1,3'-bipiperidine]-2'-one
CID 126944986
2-methyl-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956538
4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956540
4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956640
2-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956745

Frequently Asked Questions

What is the IUPAC name of methane;3-(6-oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione?
The IUPAC name of methane;3-(6-oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione (CID 142367643) is methane;3-(6-oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione.
What is the SMILES notation for methane;3-(6-oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione?
The canonical SMILES for methane;3-(6-oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione is C.O=C1CCC(n2cnc(N3CCNCC3)cc2=O)C(=O)N1.
What is the InChIKey of methane;3-(6-oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione?
The InChIKey is QEEGPFIIMRZJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3.CH4/c19-11-2-1-9(13(21)16-11)18-8-15-10(7-12(18)20)17-5-3-14-4-6-17;/h7-9,14H,1-6H2,(H,16,19,21);1H4.
What are the key properties of methane;3-(6-oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione?
methane;3-(6-oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione has a molecular weight of 307.35 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-(6-oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 142367643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).