1,8-dimethyl-3-piperidin-4-ylquinazoline-2,4-dione

C15H19N3O2 — CID 117263130

IUPAC1,8-dimethyl-3-piperidin-4-ylquinazoline-2,4-dione
SMILESCc1cccc2c(=O)n(C3CCNCC3)c(=O)n(C)c12
InChIInChI=1S/C15H19N3O2/c1-10-4-3-5-12-13(10)17(2)15(20)18(14(12)19)11-6-8-16-9-7-11/h3-5,11,16H,6-9H2,1-2H3
InChIKeyFMJCPGYHEPQPRN-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.93
Rot. Bonds1

About 1,8-dimethyl-3-piperidin-4-ylquinazoline-2,4-dione

1,8-dimethyl-3-piperidin-4-ylquinazoline-2,4-dione (PubChem CID 117263130) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1,8-dimethyl-3-piperidin-4-ylquinazoline-2,4-dione.

Molecular Properties

Compound Name1,8-dimethyl-3-piperidin-4-ylquinazoline-2,4-dione
PubChem CID117263130
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1,8-dimethyl-3-piperidin-4-ylquinazoline-2,4-dione
SMILESCc1cccc2c(=O)n(C3CCNCC3)c(=O)n(C)c12
InChIInChI=1S/C15H19N3O2/c1-10-4-3-5-12-13(10)17(2)15(20)18(14(12)19)11-6-8-16-9-7-11/h3-5,11,16H,6-9H2,1-2H3
InChIKeyFMJCPGYHEPQPRN-UHFFFAOYSA-N
XLogP0.93
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methoxy-1-methyl-3-piperidin-3-ylquinazoline-2,4-dione
CID 117263164
4-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 22380690
7-methoxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione
CID 22923350
1,3,7-trimethyl-2-piperidin-4-ylindole
CID 84630479
7-hydroxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide
CID 22923480
1,8-dimethyl-3-(piperidin-2-ylmethyl)quinazoline-2,4-dione
CID 117263187
6-ethyl-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione
CID 22923521
1-methyl-3-piperidin-4-yl-6-propylquinazoline-2,4-dione
CID 22923441
6-methyl-1-piperidin-4-ylpyridin-2-one
CID 82105178
5-chloro-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262113
8-chloro-3-piperidin-4-yl-1H-quinazoline-2,4-dione
CID 117261812
4,5,10-trimethylphenanthridin-6-one
CID 132522082

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-3-piperidin-4-ylquinazoline-2,4-dione?
The IUPAC name of 1,8-dimethyl-3-piperidin-4-ylquinazoline-2,4-dione (CID 117263130) is 1,8-dimethyl-3-piperidin-4-ylquinazoline-2,4-dione.
What is the SMILES notation for 1,8-dimethyl-3-piperidin-4-ylquinazoline-2,4-dione?
The canonical SMILES for 1,8-dimethyl-3-piperidin-4-ylquinazoline-2,4-dione is Cc1cccc2c(=O)n(C3CCNCC3)c(=O)n(C)c12.
What is the InChIKey of 1,8-dimethyl-3-piperidin-4-ylquinazoline-2,4-dione?
The InChIKey is FMJCPGYHEPQPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-4-3-5-12-13(10)17(2)15(20)18(14(12)19)11-6-8-16-9-7-11/h3-5,11,16H,6-9H2,1-2H3.
What are the key properties of 1,8-dimethyl-3-piperidin-4-ylquinazoline-2,4-dione?
1,8-dimethyl-3-piperidin-4-ylquinazoline-2,4-dione has a molecular weight of 273.34 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-3-piperidin-4-ylquinazoline-2,4-dione is sourced from PubChem (CID 117263130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).