3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione

C20H23N3O3 — CID 100745438

IUPAC3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione
SMILESO=C([C@@H]1CC=CCC1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C20H23N3O3/c24-18(14-6-2-1-3-7-14)22-12-10-15(11-13-22)23-19(25)16-8-4-5-9-17(16)21-20(23)26/h1-2,4-5,8-9,14-15H,3,6-7,10-13H2,(H,21,26)/t14-/m1/s1
InChIKeyWOFOPHFMTICRKH-CQSZACIVSA-N
MW353.42 g/mol
LogP2.21
Rot. Bonds2

About 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione

3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione (PubChem CID 100745438) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione
PubChem CID100745438
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione
SMILESO=C([C@@H]1CC=CCC1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C20H23N3O3/c24-18(14-6-2-1-3-7-14)22-12-10-15(11-13-22)23-19(25)16-8-4-5-9-17(16)21-20(23)26/h1-2,4-5,8-9,14-15H,3,6-7,10-13H2,(H,21,26)/t14-/m1/s1
InChIKeyWOFOPHFMTICRKH-CQSZACIVSA-N
XLogP2.21
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 129416598
3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 91632111
3-cyclooctyl-1H-quinazoline-2,4-dione
CID 47148765
3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 91632072
3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 91632068
3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 58863178
cyclohex-3-en-1-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162626054
cyclohex-3-en-1-yl-(4-phenylmethoxypiperidin-1-yl)methanone
CID 86913113
3-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 95377026
3-(oxolan-3-yl)-1H-quinazoline-2,4-dione
CID 117260899
(4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone
CID 43556220
3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 54670854

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione (CID 100745438) is 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione is O=C([C@@H]1CC=CCC1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1.
What is the InChIKey of 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione?
The InChIKey is WOFOPHFMTICRKH-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-18(14-6-2-1-3-7-14)22-12-10-15(11-13-22)23-19(25)16-8-4-5-9-17(16)21-20(23)26/h1-2,4-5,8-9,14-15H,3,6-7,10-13H2,(H,21,26)/t14-/m1/s1.
What are the key properties of 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione?
3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione has a molecular weight of 353.42 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 100745438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).