4-methyl-3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)isochromen-1-one

C24H23NO4 — CID 166245056

IUPAC4-methyl-3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)isochromen-1-one
SMILESCc1c(C(=O)N2CCC3(CCc4ccccc4O3)CC2)oc(=O)c2ccccc12
InChIInChI=1S/C24H23NO4/c1-16-18-7-3-4-8-19(18)23(27)28-21(16)22(26)25-14-12-24(13-15-25)11-10-17-6-2-5-9-20(17)29-24/h2-9H,10-15H2,1H3
InChIKeyNIVRRSFJBSNZOR-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.10
Rot. Bonds1

About 4-methyl-3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)isochromen-1-one

4-methyl-3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)isochromen-1-one (PubChem CID 166245056) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 4-methyl-3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)isochromen-1-one.

Molecular Properties

Compound Name4-methyl-3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)isochromen-1-one
PubChem CID166245056
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name4-methyl-3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)isochromen-1-one
SMILESCc1c(C(=O)N2CCC3(CCc4ccccc4O3)CC2)oc(=O)c2ccccc12
InChIInChI=1S/C24H23NO4/c1-16-18-7-3-4-8-19(18)23(27)28-21(16)22(26)25-14-12-24(13-15-25)11-10-17-6-2-5-9-20(17)29-24/h2-9H,10-15H2,1H3
InChIKeyNIVRRSFJBSNZOR-UHFFFAOYSA-N
XLogP4.10
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565592
(4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565595
1-methyl-4-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 136554118
spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 90565729
(2-ethoxynaphthalen-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 121130971
(2,5-dichlorophenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565621
(3,4-diethoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565605
cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone
CID 90565574
5-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one
CID 90565518
2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone
CID 90565660
3-(2-oxo-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethyl)-1,3-benzoxazol-2-one
CID 90565722
N-methyl-2-oxo-2-[(2R)-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl]ethanesulfonamide
CID 129353054

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)isochromen-1-one?
The IUPAC name of 4-methyl-3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)isochromen-1-one (CID 166245056) is 4-methyl-3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)isochromen-1-one.
What is the SMILES notation for 4-methyl-3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)isochromen-1-one?
The canonical SMILES for 4-methyl-3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)isochromen-1-one is Cc1c(C(=O)N2CCC3(CCc4ccccc4O3)CC2)oc(=O)c2ccccc12.
What is the InChIKey of 4-methyl-3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)isochromen-1-one?
The InChIKey is NIVRRSFJBSNZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-16-18-7-3-4-8-19(18)23(27)28-21(16)22(26)25-14-12-24(13-15-25)11-10-17-6-2-5-9-20(17)29-24/h2-9H,10-15H2,1H3.
What are the key properties of 4-methyl-3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)isochromen-1-one?
4-methyl-3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)isochromen-1-one has a molecular weight of 389.45 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)isochromen-1-one is sourced from PubChem (CID 166245056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).