6,7-dimethoxy-1'-(6-propan-2-yl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]

C23H30N2O3 — CID 135120659

IUPAC6,7-dimethoxy-1'-(6-propan-2-yl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESCOc1cc2c(cc1OC)C1(CCN(c3cccc(C(C)C)n3)CC1)OCC2
InChIInChI=1S/C23H30N2O3/c1-16(2)19-6-5-7-22(24-19)25-11-9-23(10-12-25)18-15-21(27-4)20(26-3)14-17(18)8-13-28-23/h5-7,14-16H,8-13H2,1-4H3
InChIKeyCPCCGBBHIJZISN-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.29
Rot. Bonds4

About 6,7-dimethoxy-1'-(6-propan-2-yl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]

6,7-dimethoxy-1'-(6-propan-2-yl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine] (PubChem CID 135120659) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 6,7-dimethoxy-1'-(6-propan-2-yl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine].

Molecular Properties

Compound Name6,7-dimethoxy-1'-(6-propan-2-yl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]
PubChem CID135120659
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name6,7-dimethoxy-1'-(6-propan-2-yl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESCOc1cc2c(cc1OC)C1(CCN(c3cccc(C(C)C)n3)CC1)OCC2
InChIInChI=1S/C23H30N2O3/c1-16(2)19-6-5-7-22(24-19)25-11-9-23(10-12-25)18-15-21(27-4)20(26-3)14-17(18)8-13-28-23/h5-7,14-16H,8-13H2,1-4H3
InChIKeyCPCCGBBHIJZISN-UHFFFAOYSA-N
XLogP4.29
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1'-(6-propan-2-yl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]?
The IUPAC name of 6,7-dimethoxy-1'-(6-propan-2-yl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine] (CID 135120659) is 6,7-dimethoxy-1'-(6-propan-2-yl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine].
What is the SMILES notation for 6,7-dimethoxy-1'-(6-propan-2-yl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]?
The canonical SMILES for 6,7-dimethoxy-1'-(6-propan-2-yl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine] is COc1cc2c(cc1OC)C1(CCN(c3cccc(C(C)C)n3)CC1)OCC2.
What is the InChIKey of 6,7-dimethoxy-1'-(6-propan-2-yl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]?
The InChIKey is CPCCGBBHIJZISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-16(2)19-6-5-7-22(24-19)25-11-9-23(10-12-25)18-15-21(27-4)20(26-3)14-17(18)8-13-28-23/h5-7,14-16H,8-13H2,1-4H3.
What are the key properties of 6,7-dimethoxy-1'-(6-propan-2-yl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]?
6,7-dimethoxy-1'-(6-propan-2-yl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine] has a molecular weight of 382.50 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1'-(6-propan-2-yl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine] is sourced from PubChem (CID 135120659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).