1'-propan-2-ylspiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one

C15H21N3O — CID 59731966

IUPAC1'-propan-2-ylspiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one
SMILESCC(C)N1CCC2(CC1)NC(=O)Nc1ccccc12
InChIInChI=1S/C15H21N3O/c1-11(2)18-9-7-15(8-10-18)12-5-3-4-6-13(12)16-14(19)17-15/h3-6,11H,7-10H2,1-2H3,(H2,16,17,19)
InChIKeyWHIIQBFTCLBKAD-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.52
Rot. Bonds1

About 1'-propan-2-ylspiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one

1'-propan-2-ylspiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one (PubChem CID 59731966) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1'-propan-2-ylspiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-propan-2-ylspiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one
PubChem CID59731966
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1'-propan-2-ylspiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one
SMILESCC(C)N1CCC2(CC1)NC(=O)Nc1ccccc12
InChIInChI=1S/C15H21N3O/c1-11(2)18-9-7-15(8-10-18)12-5-3-4-6-13(12)16-14(19)17-15/h3-6,11H,7-10H2,1-2H3,(H2,16,17,19)
InChIKeyWHIIQBFTCLBKAD-UHFFFAOYSA-N
XLogP2.52
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1'-propan-2-ylspiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-propan-2-ylspiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one?
The IUPAC name of 1'-propan-2-ylspiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one (CID 59731966) is 1'-propan-2-ylspiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one.
What is the SMILES notation for 1'-propan-2-ylspiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one?
The canonical SMILES for 1'-propan-2-ylspiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one is CC(C)N1CCC2(CC1)NC(=O)Nc1ccccc12.
What is the InChIKey of 1'-propan-2-ylspiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one?
The InChIKey is WHIIQBFTCLBKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)18-9-7-15(8-10-18)12-5-3-4-6-13(12)16-14(19)17-15/h3-6,11H,7-10H2,1-2H3,(H2,16,17,19).
What are the key properties of 1'-propan-2-ylspiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one?
1'-propan-2-ylspiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propan-2-ylspiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one is sourced from PubChem (CID 59731966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).