5,7-dimethyl-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide

C22H24N2O3 — CID 108782711

IUPAC5,7-dimethyl-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
SMILESCc1cc(C)c2c(c1)OC1(CCN(C(=O)Nc3ccccc3)CC1)CC2=O
InChIInChI=1S/C22H24N2O3/c1-15-12-16(2)20-18(25)14-22(27-19(20)13-15)8-10-24(11-9-22)21(26)23-17-6-4-3-5-7-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,26)
InChIKeyVMWBUKGLTMARLT-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.34
Rot. Bonds1

About 5,7-dimethyl-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide

5,7-dimethyl-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 108782711) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5,7-dimethyl-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
PubChem CID108782711
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name5,7-dimethyl-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
SMILESCc1cc(C)c2c(c1)OC1(CCN(C(=O)Nc3ccccc3)CC1)CC2=O
InChIInChI=1S/C22H24N2O3/c1-15-12-16(2)20-18(25)14-22(27-19(20)13-15)8-10-24(11-9-22)21(26)23-17-6-4-3-5-7-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,26)
InChIKeyVMWBUKGLTMARLT-UHFFFAOYSA-N
XLogP4.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 100760356
1'-(1-acetylpiperidine-4-carbonyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739907
2-[1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108762522
5,7-dimethyl-1'-[2-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762474
methyl 3-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate
CID 108739950
5,7-dimethyl-4-oxo-N-prop-2-enylspiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
CID 108782715
5,7-dimethyl-1'-(5-methyl-1-phenylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739905
1'-[2-(4-bromophenyl)acetyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739938
1'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762545
1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(3,4-dimethylphenyl)butane-1,4-dione
CID 108739931
N-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586070
1'-[2-(4-bromophenoxy)propanoyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739965

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 5,7-dimethyl-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide (CID 108782711) is 5,7-dimethyl-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 5,7-dimethyl-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 5,7-dimethyl-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide is Cc1cc(C)c2c(c1)OC1(CCN(C(=O)Nc3ccccc3)CC1)CC2=O.
What is the InChIKey of 5,7-dimethyl-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is VMWBUKGLTMARLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-12-16(2)20-18(25)14-22(27-19(20)13-15)8-10-24(11-9-22)21(26)23-17-6-4-3-5-7-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,26).
What are the key properties of 5,7-dimethyl-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
5,7-dimethyl-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 108782711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).