1'-benzoyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-one

C20H18ClNO3 — CID 100761498

IUPAC1'-benzoyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3ccccc3)CC2)Oc2c(Cl)cccc21
InChIInChI=1S/C20H18ClNO3/c21-16-8-4-7-15-17(23)13-20(25-18(15)16)9-11-22(12-10-20)19(24)14-5-2-1-3-6-14/h1-8H,9-13H2
InChIKeyMBZUXNGTIPHAJV-UHFFFAOYSA-N
MW355.82 g/mol
LogP3.98
Rot. Bonds1

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

1'-benzoyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 100761498) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is 1'-benzoyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-benzoyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID100761498
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Name1'-benzoyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3ccccc3)CC2)Oc2c(Cl)cccc21
InChIInChI=1S/C20H18ClNO3/c21-16-8-4-7-15-17(23)13-20(25-18(15)16)9-11-22(12-10-20)19(24)14-5-2-1-3-6-14/h1-8H,9-13H2
InChIKeyMBZUXNGTIPHAJV-UHFFFAOYSA-N
XLogP3.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726147
8-chloro-N-(3-chlorophenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 100761536
1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260534
[3-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] acetate
CID 108758625
1'-benzoyl-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 125498789
1'-benzoyl-6-bromospiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770141
6-chloro-1'-(3-chlorobenzoyl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750284
8-chloro-N-[4-(methylcarbamoyl)-2-pyridinyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 46927020
2-[2-(8-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 58041415
1'-(4-propan-2-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734251
1'-(3-phenoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734202
6-chloro-7-methyl-1'-(3-phenoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735196

Frequently Asked Questions

What is the IUPAC name of 1'-benzoyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-benzoyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-one (CID 100761498) is 1'-benzoyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-benzoyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-benzoyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)c3ccccc3)CC2)Oc2c(Cl)cccc21.
What is the InChIKey of 1'-benzoyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is MBZUXNGTIPHAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c21-16-8-4-7-15-17(23)13-20(25-18(15)16)9-11-22(12-10-20)19(24)14-5-2-1-3-6-14/h1-8H,9-13H2.
What are the key properties of 1'-benzoyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-one?
1'-benzoyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 355.82 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzoyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 100761498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).