1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one

C21H20ClNO3 — CID 108726147

IUPAC1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(Cl)cc2c1OC1(CCN(C(=O)c3ccccc3)CC1)CC2=O
InChIInChI=1S/C21H20ClNO3/c1-14-11-16(22)12-17-18(24)13-21(26-19(14)17)7-9-23(10-8-21)20(25)15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3
InChIKeyIWTUULQLQSUCOU-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.29
Rot. Bonds1

About 1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one

1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108726147) has the molecular formula C21H20ClNO3 and a molecular weight of 369.85 g/mol. Its IUPAC name is 1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108726147
Molecular FormulaC21H20ClNO3
Molecular Weight369.85 g/mol
Exact Mass369.11
IUPAC Name1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(Cl)cc2c1OC1(CCN(C(=O)c3ccccc3)CC1)CC2=O
InChIInChI=1S/C21H20ClNO3/c1-14-11-16(22)12-17-18(24)13-21(26-19(14)17)7-9-23(10-8-21)20(25)15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3
InChIKeyIWTUULQLQSUCOU-UHFFFAOYSA-N
XLogP4.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one with MolForge

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

Launch Full Analysis

Related Compounds

6-chloro-1'-(3-chlorobenzoyl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750284
6-chloro-1'-(3-methoxybenzoyl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750281
methyl 3-(6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate
CID 108726226
6-chloro-8-methyl-1'-(4-nitrobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750273
1-(6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-5-phenylpentane-1,5-dione
CID 108726194
6-chloro-8-methyl-1'-[4-(2-methylpropoxy)benzoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726104
1'-(5-bromofuran-2-carbonyl)-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750296
methyl 6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108726164
6-chloro-8-methyl-1'-(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108808862
5-(6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-2-(2-methylpropyl)isoindole-1,3-dione
CID 108750293
1'-benzoyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 100761498
N-[3-(6,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl]acetamide
CID 108758014

Frequently Asked Questions

What is the IUPAC name of 1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108726147) is 1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc(Cl)cc2c1OC1(CCN(C(=O)c3ccccc3)CC1)CC2=O.
What is the InChIKey of 1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is IWTUULQLQSUCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO3/c1-14-11-16(22)12-17-18(24)13-21(26-19(14)17)7-9-23(10-8-21)20(25)15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of 1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 369.85 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108726147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).