1-(oxolan-3-yl)-4-[(5-phenylpyrimidin-2-yl)methyl]piperazine-2,3-dione

C19H20N4O3 — CID 166103576

IUPAC1-(oxolan-3-yl)-4-[(5-phenylpyrimidin-2-yl)methyl]piperazine-2,3-dione
SMILESO=C1C(=O)N(C2CCOC2)CCN1Cc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C19H20N4O3/c24-18-19(25)23(16-6-9-26-13-16)8-7-22(18)12-17-20-10-15(11-21-17)14-4-2-1-3-5-14/h1-5,10-11,16H,6-9,12-13H2
InChIKeyIUCNCJOMQSYXPI-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.10
Rot. Bonds4

About 1-(oxolan-3-yl)-4-[(5-phenylpyrimidin-2-yl)methyl]piperazine-2,3-dione

1-(oxolan-3-yl)-4-[(5-phenylpyrimidin-2-yl)methyl]piperazine-2,3-dione (PubChem CID 166103576) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-4-[(5-phenylpyrimidin-2-yl)methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-(oxolan-3-yl)-4-[(5-phenylpyrimidin-2-yl)methyl]piperazine-2,3-dione
PubChem CID166103576
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name1-(oxolan-3-yl)-4-[(5-phenylpyrimidin-2-yl)methyl]piperazine-2,3-dione
SMILESO=C1C(=O)N(C2CCOC2)CCN1Cc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C19H20N4O3/c24-18-19(25)23(16-6-9-26-13-16)8-7-22(18)12-17-20-10-15(11-21-17)14-4-2-1-3-5-14/h1-5,10-11,16H,6-9,12-13H2
InChIKeyIUCNCJOMQSYXPI-UHFFFAOYSA-N
XLogP1.10
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-4-[(3-fluoro-5-phenyl-2-pyridinyl)methyl]piperazine-2,3-dione
CID 166103593
1-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-4-[(5-phenylpyrazin-2-yl)methyl]piperazine-2,3-dione
CID 166103396
1-(3-phenylcyclobutyl)-4-[(6-phenyl-3-pyridinyl)methyl]piperazine-2,3-dione
CID 166103628
3-methyl-2-[[3-oxo-4-(oxolan-3-yl)piperazin-1-yl]methyl]quinazolin-4-one
CID 166308649
4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N,N-dimethylpiperidine-1-sulfonamide
CID 20930287
1-[(5-chloropyrazin-2-yl)methyl]-4-cyclopentylpiperazine-2,3-dione
CID 166103271
5-(oxan-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 72703406
3-(chloromethyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one
CID 129494172
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 119104065
4-[[(3S)-oxolan-3-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 97210991
4-(oxolan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazol-5-one
CID 75368885
1-cyclopentyl-4-[[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,3-dione
CID 166103727

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-4-[(5-phenylpyrimidin-2-yl)methyl]piperazine-2,3-dione?
The IUPAC name of 1-(oxolan-3-yl)-4-[(5-phenylpyrimidin-2-yl)methyl]piperazine-2,3-dione (CID 166103576) is 1-(oxolan-3-yl)-4-[(5-phenylpyrimidin-2-yl)methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-(oxolan-3-yl)-4-[(5-phenylpyrimidin-2-yl)methyl]piperazine-2,3-dione?
The canonical SMILES for 1-(oxolan-3-yl)-4-[(5-phenylpyrimidin-2-yl)methyl]piperazine-2,3-dione is O=C1C(=O)N(C2CCOC2)CCN1Cc1ncc(-c2ccccc2)cn1.
What is the InChIKey of 1-(oxolan-3-yl)-4-[(5-phenylpyrimidin-2-yl)methyl]piperazine-2,3-dione?
The InChIKey is IUCNCJOMQSYXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-18-19(25)23(16-6-9-26-13-16)8-7-22(18)12-17-20-10-15(11-21-17)14-4-2-1-3-5-14/h1-5,10-11,16H,6-9,12-13H2.
What are the key properties of 1-(oxolan-3-yl)-4-[(5-phenylpyrimidin-2-yl)methyl]piperazine-2,3-dione?
1-(oxolan-3-yl)-4-[(5-phenylpyrimidin-2-yl)methyl]piperazine-2,3-dione has a molecular weight of 352.39 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-4-[(5-phenylpyrimidin-2-yl)methyl]piperazine-2,3-dione is sourced from PubChem (CID 166103576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).