(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[2-(propan-2-ylamino)phenyl]methanone

C24H30N2O3 — CID 135106179

IUPAC(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[2-(propan-2-ylamino)phenyl]methanone
SMILESCOc1cccc2c1C1(CCN(C(=O)c3ccccc3NC(C)C)CC1)OCC2
InChIInChI=1S/C24H30N2O3/c1-17(2)25-20-9-5-4-8-19(20)23(27)26-14-12-24(13-15-26)22-18(11-16-29-24)7-6-10-21(22)28-3/h4-10,17,25H,11-16H2,1-3H3
InChIKeyWKYKEPMTQFJFPE-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.22
Rot. Bonds4

About (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[2-(propan-2-ylamino)phenyl]methanone

(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[2-(propan-2-ylamino)phenyl]methanone (PubChem CID 135106179) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[2-(propan-2-ylamino)phenyl]methanone.

Molecular Properties

Compound Name(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[2-(propan-2-ylamino)phenyl]methanone
PubChem CID135106179
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[2-(propan-2-ylamino)phenyl]methanone
SMILESCOc1cccc2c1C1(CCN(C(=O)c3ccccc3NC(C)C)CC1)OCC2
InChIInChI=1S/C24H30N2O3/c1-17(2)25-20-9-5-4-8-19(20)23(27)26-14-12-24(13-15-26)22-18(11-16-29-24)7-6-10-21(22)28-3/h4-10,17,25H,11-16H2,1-3H3
InChIKeyWKYKEPMTQFJFPE-UHFFFAOYSA-N
XLogP4.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135098887
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-quinoxalin-5-ylmethanone
CID 163312283
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-pyridin-4-ylmethanone
CID 135095604
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(1,2-oxazol-3-yl)methanone
CID 135092256
(2R)-2-cyclohexyl-2-hydroxy-1-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)ethanone
CID 135114988
1-(azepan-1-yl)-4-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)butane-1,4-dione
CID 135114400
2-hydroxy-1-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-4-methylpentan-1-one
CID 135119299
(4,6-dimethylpyrimidin-5-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135095343
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-thiophen-3-ylmethanone
CID 135119505
1-[3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)phenyl]pyrrolidin-2-one
CID 162625461
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(1H-pyrazol-4-yl)methanone
CID 135104777
(2-methoxy-4-pyridinyl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135104461

Frequently Asked Questions

What is the IUPAC name of (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[2-(propan-2-ylamino)phenyl]methanone?
The IUPAC name of (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[2-(propan-2-ylamino)phenyl]methanone (CID 135106179) is (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[2-(propan-2-ylamino)phenyl]methanone.
What is the SMILES notation for (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[2-(propan-2-ylamino)phenyl]methanone?
The canonical SMILES for (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[2-(propan-2-ylamino)phenyl]methanone is COc1cccc2c1C1(CCN(C(=O)c3ccccc3NC(C)C)CC1)OCC2.
What is the InChIKey of (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[2-(propan-2-ylamino)phenyl]methanone?
The InChIKey is WKYKEPMTQFJFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17(2)25-20-9-5-4-8-19(20)23(27)26-14-12-24(13-15-26)22-18(11-16-29-24)7-6-10-21(22)28-3/h4-10,17,25H,11-16H2,1-3H3.
What are the key properties of (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[2-(propan-2-ylamino)phenyl]methanone?
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[2-(propan-2-ylamino)phenyl]methanone has a molecular weight of 394.52 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[2-(propan-2-ylamino)phenyl]methanone is sourced from PubChem (CID 135106179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).