1'-[1-(4-methylphenyl)cyclopropanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one

C23H24N2O3 — CID 46959567

IUPAC1'-[1-(4-methylphenyl)cyclopropanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
SMILESCc1ccc(C2(C(=O)N3CCC4(CC3)NC(=O)c3ccccc3O4)CC2)cc1
InChIInChI=1S/C23H24N2O3/c1-16-6-8-17(9-7-16)22(10-11-22)21(27)25-14-12-23(13-15-25)24-20(26)18-4-2-3-5-19(18)28-23/h2-9H,10-15H2,1H3,(H,24,26)
InChIKeyLKSLNJWMZMDTQC-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.17
Rot. Bonds2

About 1'-[1-(4-methylphenyl)cyclopropanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one

1'-[1-(4-methylphenyl)cyclopropanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one (PubChem CID 46959567) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1'-[1-(4-methylphenyl)cyclopropanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[1-(4-methylphenyl)cyclopropanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
PubChem CID46959567
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name1'-[1-(4-methylphenyl)cyclopropanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
SMILESCc1ccc(C2(C(=O)N3CCC4(CC3)NC(=O)c3ccccc3O4)CC2)cc1
InChIInChI=1S/C23H24N2O3/c1-16-6-8-17(9-7-16)22(10-11-22)21(27)25-14-12-23(13-15-25)24-20(26)18-4-2-3-5-19(18)28-23/h2-9H,10-15H2,1H3,(H,24,26)
InChIKeyLKSLNJWMZMDTQC-UHFFFAOYSA-N
XLogP3.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[1-(4-methylphenyl)cyclopropanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[1-(4-methylphenyl)cyclopropanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one (CID 46959567) is 1'-[1-(4-methylphenyl)cyclopropanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[1-(4-methylphenyl)cyclopropanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[1-(4-methylphenyl)cyclopropanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one is Cc1ccc(C2(C(=O)N3CCC4(CC3)NC(=O)c3ccccc3O4)CC2)cc1.
What is the InChIKey of 1'-[1-(4-methylphenyl)cyclopropanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
The InChIKey is LKSLNJWMZMDTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16-6-8-17(9-7-16)22(10-11-22)21(27)25-14-12-23(13-15-25)24-20(26)18-4-2-3-5-19(18)28-23/h2-9H,10-15H2,1H3,(H,24,26).
What are the key properties of 1'-[1-(4-methylphenyl)cyclopropanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
1'-[1-(4-methylphenyl)cyclopropanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one has a molecular weight of 376.46 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(4-methylphenyl)cyclopropanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one is sourced from PubChem (CID 46959567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).