6-bromo-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide

C20H19BrN2O3 — CID 100760356

IUPAC6-bromo-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
SMILESO=C1CC2(CCN(C(=O)Nc3ccccc3)CC2)Oc2ccc(Br)cc21
InChIInChI=1S/C20H19BrN2O3/c21-14-6-7-18-16(12-14)17(24)13-20(26-18)8-10-23(11-9-20)19(25)22-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,22,25)
InChIKeyPCQSZTVFRXSOCU-UHFFFAOYSA-N
MW415.29 g/mol
LogP4.48
Rot. Bonds1

About 6-bromo-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide

6-bromo-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 100760356) has the molecular formula C20H19BrN2O3 and a molecular weight of 415.29 g/mol. Its IUPAC name is 6-bromo-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name6-bromo-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
PubChem CID100760356
Molecular FormulaC20H19BrN2O3
Molecular Weight415.29 g/mol
Exact Mass414.06
IUPAC Name6-bromo-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
SMILESO=C1CC2(CCN(C(=O)Nc3ccccc3)CC2)Oc2ccc(Br)cc21
InChIInChI=1S/C20H19BrN2O3/c21-14-6-7-18-16(12-14)17(24)13-20(26-18)8-10-23(11-9-20)19(25)22-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,22,25)
InChIKeyPCQSZTVFRXSOCU-UHFFFAOYSA-N
XLogP4.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-benzoyl-6-bromospiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770141
5,7-dimethyl-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 108782711
N-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586070
6-bromo-4-oxospiro[3H-chromene-2,3'-piperidine]-1'-carboxylic acid
CID 123756935
6'-bromospiro[1,3-dihydroindene-2,2'-3H-chromene]-4'-one
CID 58423986
6-bromo-1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 100760349
1'-(1,3-benzodioxole-5-carbonyl)-6-bromospiro[3H-chromene-2,4'-piperidine]-4-one
CID 100760343
tert-butyl 6-bromo-4-oxospiro[3H-chromene-2,4'-azepane]-1'-carboxylate
CID 67071399
N-(3,4-dimethylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586073
4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid
CID 66782544
N-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 46353341
1'-benzoyl-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 125498789

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 6-bromo-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide (CID 100760356) is 6-bromo-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 6-bromo-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 6-bromo-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide is O=C1CC2(CCN(C(=O)Nc3ccccc3)CC2)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is PCQSZTVFRXSOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O3/c21-14-6-7-18-16(12-14)17(24)13-20(26-18)8-10-23(11-9-20)19(25)22-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,22,25).
What are the key properties of 6-bromo-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
6-bromo-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 415.29 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 100760356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).