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

C18H21N3O4 — CID 129416598

IUPAC3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione
SMILESO=C([C@@H]1CCCO1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C18H21N3O4/c22-16-13-4-1-2-5-14(13)19-18(24)21(16)12-7-9-20(10-8-12)17(23)15-6-3-11-25-15/h1-2,4-5,12,15H,3,6-11H2,(H,19,24)/t15-/m0/s1
InChIKeyFEXXMBNUJIAFSE-HNNXBMFYSA-N
MW343.38 g/mol
LogP1.03
Rot. Bonds2

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

3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione (PubChem CID 129416598) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione
PubChem CID129416598
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione
SMILESO=C([C@@H]1CCCO1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C18H21N3O4/c22-16-13-4-1-2-5-14(13)19-18(24)21(16)12-7-9-20(10-8-12)17(23)15-6-3-11-25-15/h1-2,4-5,12,15H,3,6-11H2,(H,19,24)/t15-/m0/s1
InChIKeyFEXXMBNUJIAFSE-HNNXBMFYSA-N
XLogP1.03
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 100745438
3-cyclooctyl-1H-quinazoline-2,4-dione
CID 47148765
3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 91632111
3-(oxolan-3-yl)-1H-quinazoline-2,4-dione
CID 117260899
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 110711015
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 113088297
3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 91632068
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
10-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]acridin-9-one
CID 55515627
3-[1-[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 25382426
3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 58863178

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione (CID 129416598) is 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione is O=C([C@@H]1CCCO1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1.
What is the InChIKey of 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione?
The InChIKey is FEXXMBNUJIAFSE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N3O4/c22-16-13-4-1-2-5-14(13)19-18(24)21(16)12-7-9-20(10-8-12)17(23)15-6-3-11-25-15/h1-2,4-5,12,15H,3,6-11H2,(H,19,24)/t15-/m0/s1.
What are the key properties of 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione?
3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione has a molecular weight of 343.38 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 129416598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).