1-methyl-1'-(2-oxochromene-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one

C23H20N2O4 — CID 171906991

IUPAC1-methyl-1'-(2-oxochromene-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one
SMILESCN1C(=O)C2(CCCN(C(=O)c3cc4ccccc4oc3=O)C2)c2ccccc21
InChIInChI=1S/C23H20N2O4/c1-24-18-9-4-3-8-17(18)23(22(24)28)11-6-12-25(14-23)20(26)16-13-15-7-2-5-10-19(15)29-21(16)27/h2-5,7-10,13H,6,11-12,14H2,1H3
InChIKeyYVISUMRPYABKPD-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.94
Rot. Bonds1

About 1-methyl-1'-(2-oxochromene-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one

1-methyl-1'-(2-oxochromene-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one (PubChem CID 171906991) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-methyl-1'-(2-oxochromene-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name1-methyl-1'-(2-oxochromene-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one
PubChem CID171906991
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name1-methyl-1'-(2-oxochromene-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one
SMILESCN1C(=O)C2(CCCN(C(=O)c3cc4ccccc4oc3=O)C2)c2ccccc21
InChIInChI=1S/C23H20N2O4/c1-24-18-9-4-3-8-17(18)23(22(24)28)11-6-12-25(14-23)20(26)16-13-15-7-2-5-10-19(15)29-21(16)27/h2-5,7-10,13H,6,11-12,14H2,1H3
InChIKeyYVISUMRPYABKPD-UHFFFAOYSA-N
XLogP2.94
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

1'-(2-oxochromene-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618507
1-methyl-1'-(5-oxo-1,2-dihydropyrazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 56894304
3-[4-(2-oxochromene-3-carbonyl)-1,4-diazepane-1-carbonyl]chromen-2-one
CID 1224770
3-(azepane-1-carbonyl)chromen-2-one
CID 716526
1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 56909632
(3S)-1-methyl-1'-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 126436971
(3S)-1-methyl-1'-(4H-thieno[3,2-b]pyrrole-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 95725341
2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]acetamide
CID 95709226
1'-(4-ethylthiadiazole-5-carbonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 56889274
(3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 95103905
3-(4-propanoyl-1,4-diazepane-1-carbonyl)chromen-2-one
CID 110805717
methyl 1-(2-oxochromene-3-carbonyl)-3-phenylpyrrolidine-3-carboxylate
CID 171906384

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1'-(2-oxochromene-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one?
The IUPAC name of 1-methyl-1'-(2-oxochromene-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one (CID 171906991) is 1-methyl-1'-(2-oxochromene-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one.
What is the SMILES notation for 1-methyl-1'-(2-oxochromene-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one?
The canonical SMILES for 1-methyl-1'-(2-oxochromene-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one is CN1C(=O)C2(CCCN(C(=O)c3cc4ccccc4oc3=O)C2)c2ccccc21.
What is the InChIKey of 1-methyl-1'-(2-oxochromene-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one?
The InChIKey is YVISUMRPYABKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-24-18-9-4-3-8-17(18)23(22(24)28)11-6-12-25(14-23)20(26)16-13-15-7-2-5-10-19(15)29-21(16)27/h2-5,7-10,13H,6,11-12,14H2,1H3.
What are the key properties of 1-methyl-1'-(2-oxochromene-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one?
1-methyl-1'-(2-oxochromene-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one has a molecular weight of 388.42 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1'-(2-oxochromene-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 171906991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).