methyl 6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate

C16H18ClNO4 — CID 108726164

IUPACmethyl 6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
SMILESCOC(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)cc(C)c1O2
InChIInChI=1S/C16H18ClNO4/c1-10-7-11(17)8-12-13(19)9-16(22-14(10)12)3-5-18(6-4-16)15(20)21-2/h7-8H,3-6,9H2,1-2H3
InChIKeyLNUDGGAAWFRMET-UHFFFAOYSA-N
MW323.78 g/mol
LogP3.21
Rot. Bonds

About methyl 6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate

methyl 6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate (PubChem CID 108726164) has the molecular formula C16H18ClNO4 and a molecular weight of 323.78 g/mol. Its IUPAC name is methyl 6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
PubChem CID108726164
Molecular FormulaC16H18ClNO4
Molecular Weight323.78 g/mol
Exact Mass323.09
IUPAC Namemethyl 6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
SMILESCOC(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)cc(C)c1O2
InChIInChI=1S/C16H18ClNO4/c1-10-7-11(17)8-12-13(19)9-16(22-14(10)12)3-5-18(6-4-16)15(20)21-2/h7-8H,3-6,9H2,1-2H3
InChIKeyLNUDGGAAWFRMET-UHFFFAOYSA-N
XLogP3.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate
CID 108726226
1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726147
1'-(adamantane-1-carbonyl)-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726148
6-chloro-1'-(3-methoxybenzoyl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750281
6-chloro-1'-(3-chlorobenzoyl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750284
6-chloro-8-methyl-1'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750325
1'-(5-bromofuran-2-carbonyl)-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750296
6-chloro-1'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750309
6-chloro-8-methyl-1'-(4-nitrobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750273
6-chloro-1'-(4,6-dimethylpyrimidin-2-yl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108771663
6-chloro-1'-cyclopropylsulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108780280
1-(6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-5-phenylpentane-1,5-dione
CID 108726194

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of methyl 6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate (CID 108726164) is methyl 6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for methyl 6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for methyl 6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate is COC(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)cc(C)c1O2.
What is the InChIKey of methyl 6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate?
The InChIKey is LNUDGGAAWFRMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4/c1-10-7-11(17)8-12-13(19)9-16(22-14(10)12)3-5-18(6-4-16)15(20)21-2/h7-8H,3-6,9H2,1-2H3.
What are the key properties of methyl 6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate?
methyl 6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate has a molecular weight of 323.78 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 108726164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).