1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)quinazoline-2,4-dione

C24H27N3O3 — CID 7450521

IUPAC1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)quinazoline-2,4-dione
SMILESC[C@@H]1CCCN(C(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)C1
InChIInChI=1S/C24H27N3O3/c1-18-8-7-14-25(16-18)22(28)17-27-21-12-6-5-11-20(21)23(29)26(24(27)30)15-13-19-9-3-2-4-10-19/h2-6,9-12,18H,7-8,13-17H2,1H3/t18-/m1/s1
InChIKeyBFETZHRABOHEGG-GOSISDBHSA-N
MW405.50 g/mol
LogP2.66
Rot. Bonds5

About 1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)quinazoline-2,4-dione

1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)quinazoline-2,4-dione (PubChem CID 7450521) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)quinazoline-2,4-dione
PubChem CID7450521
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)quinazoline-2,4-dione
SMILESC[C@@H]1CCCN(C(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)C1
InChIInChI=1S/C24H27N3O3/c1-18-8-7-14-25(16-18)22(28)17-27-21-12-6-5-11-20(21)23(29)26(24(27)30)15-13-19-9-3-2-4-10-19/h2-6,9-12,18H,7-8,13-17H2,1H3/t18-/m1/s1
InChIKeyBFETZHRABOHEGG-GOSISDBHSA-N
XLogP2.66
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)quinazoline-2,4-dione with MolForge

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Related Compounds

3-(3-methoxypropyl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 51046817
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 55442967
1-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-ethylquinazoline-2,4-dione
CID 9490062
N-(1-benzylpiperidin-4-yl)-4-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide
CID 46247600
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)quinazoline-2,4-dione
CID 6502276
1-[(4-chlorophenyl)methyl]-4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione
CID 92867317
3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 4619820
(3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 94512675
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-methylbutyl)acetamide
CID 51046610
3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 22429531
6-benzyl-1-ethyl-3-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyrazolo[4,5-d]pyrimidine-5,7-dione
CID 95063449

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)quinazoline-2,4-dione?
The IUPAC name of 1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)quinazoline-2,4-dione (CID 7450521) is 1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)quinazoline-2,4-dione.
What is the SMILES notation for 1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)quinazoline-2,4-dione?
The canonical SMILES for 1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)quinazoline-2,4-dione is C[C@@H]1CCCN(C(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)C1.
What is the InChIKey of 1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)quinazoline-2,4-dione?
The InChIKey is BFETZHRABOHEGG-GOSISDBHSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-18-8-7-14-25(16-18)22(28)17-27-21-12-6-5-11-20(21)23(29)26(24(27)30)15-13-19-9-3-2-4-10-19/h2-6,9-12,18H,7-8,13-17H2,1H3/t18-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)quinazoline-2,4-dione?
1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)quinazoline-2,4-dione has a molecular weight of 405.50 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)quinazoline-2,4-dione is sourced from PubChem (CID 7450521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).