6,7-dimethoxy-N-methyl-2-(2-piperidin-1-ylpropanoyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-1-carboxamide

C25H37N3O4 — CID 46734056

IUPAC6,7-dimethoxy-N-methyl-2-(2-piperidin-1-ylpropanoyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-1-carboxamide
SMILESCNC(=O)C1c2cc(OC)c(OC)cc2C2(CCCC2)CN1C(=O)C(C)N1CCCCC1
InChIInChI=1S/C25H37N3O4/c1-17(27-12-8-5-9-13-27)24(30)28-16-25(10-6-7-11-25)19-15-21(32-4)20(31-3)14-18(19)22(28)23(29)26-2/h14-15,17,22H,5-13,16H2,1-4H3,(H,26,29)
InChIKeyPMTOHJLNJFXHEA-UHFFFAOYSA-N
MW443.59 g/mol
LogP3.02
Rot. Bonds5

About 6,7-dimethoxy-N-methyl-2-(2-piperidin-1-ylpropanoyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-1-carboxamide

6,7-dimethoxy-N-methyl-2-(2-piperidin-1-ylpropanoyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-1-carboxamide (PubChem CID 46734056) has the molecular formula C25H37N3O4 and a molecular weight of 443.59 g/mol. Its IUPAC name is 6,7-dimethoxy-N-methyl-2-(2-piperidin-1-ylpropanoyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-1-carboxamide.

Molecular Properties

Compound Name6,7-dimethoxy-N-methyl-2-(2-piperidin-1-ylpropanoyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-1-carboxamide
PubChem CID46734056
Molecular FormulaC25H37N3O4
Molecular Weight443.59 g/mol
Exact Mass443.28
IUPAC Name6,7-dimethoxy-N-methyl-2-(2-piperidin-1-ylpropanoyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-1-carboxamide
SMILESCNC(=O)C1c2cc(OC)c(OC)cc2C2(CCCC2)CN1C(=O)C(C)N1CCCCC1
InChIInChI=1S/C25H37N3O4/c1-17(27-12-8-5-9-13-27)24(30)28-16-25(10-6-7-11-25)19-15-21(32-4)20(31-3)14-18(19)22(28)23(29)26-2/h14-15,17,22H,5-13,16H2,1-4H3,(H,26,29)
InChIKeyPMTOHJLNJFXHEA-UHFFFAOYSA-N
XLogP3.02
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-methyl-2-(2-piperidin-1-ylpropanoyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-1-carboxamide?
The IUPAC name of 6,7-dimethoxy-N-methyl-2-(2-piperidin-1-ylpropanoyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-1-carboxamide (CID 46734056) is 6,7-dimethoxy-N-methyl-2-(2-piperidin-1-ylpropanoyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-1-carboxamide.
What is the SMILES notation for 6,7-dimethoxy-N-methyl-2-(2-piperidin-1-ylpropanoyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-1-carboxamide?
The canonical SMILES for 6,7-dimethoxy-N-methyl-2-(2-piperidin-1-ylpropanoyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-1-carboxamide is CNC(=O)C1c2cc(OC)c(OC)cc2C2(CCCC2)CN1C(=O)C(C)N1CCCCC1.
What is the InChIKey of 6,7-dimethoxy-N-methyl-2-(2-piperidin-1-ylpropanoyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-1-carboxamide?
The InChIKey is PMTOHJLNJFXHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O4/c1-17(27-12-8-5-9-13-27)24(30)28-16-25(10-6-7-11-25)19-15-21(32-4)20(31-3)14-18(19)22(28)23(29)26-2/h14-15,17,22H,5-13,16H2,1-4H3,(H,26,29).
What are the key properties of 6,7-dimethoxy-N-methyl-2-(2-piperidin-1-ylpropanoyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-1-carboxamide?
6,7-dimethoxy-N-methyl-2-(2-piperidin-1-ylpropanoyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-1-carboxamide has a molecular weight of 443.59 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-methyl-2-(2-piperidin-1-ylpropanoyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-1-carboxamide is sourced from PubChem (CID 46734056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).