1'-methyl-6-(4-methylpiperidine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indole]-2'-one

C22H29N3O2 — CID 126459377

IUPAC1'-methyl-6-(4-methylpiperidine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indole]-2'-one
SMILESCC1CCN(C(=O)C2CC3CCCN3C23C(=O)N(C)c2ccccc23)CC1
InChIInChI=1S/C22H29N3O2/c1-15-9-12-24(13-10-15)20(26)18-14-16-6-5-11-25(16)22(18)17-7-3-4-8-19(17)23(2)21(22)27/h3-4,7-8,15-16,18H,5-6,9-14H2,1-2H3
InChIKeyOMSWJNBKYCXBNL-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.60
Rot. Bonds1

About 1'-methyl-6-(4-methylpiperidine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indole]-2'-one

1'-methyl-6-(4-methylpiperidine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indole]-2'-one (PubChem CID 126459377) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1'-methyl-6-(4-methylpiperidine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-methyl-6-(4-methylpiperidine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indole]-2'-one
PubChem CID126459377
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1'-methyl-6-(4-methylpiperidine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indole]-2'-one
SMILESCC1CCN(C(=O)C2CC3CCCN3C23C(=O)N(C)c2ccccc23)CC1
InChIInChI=1S/C22H29N3O2/c1-15-9-12-24(13-10-15)20(26)18-14-16-6-5-11-25(16)22(18)17-7-3-4-8-19(17)23(2)21(22)27/h3-4,7-8,15-16,18H,5-6,9-14H2,1-2H3
InChIKeyOMSWJNBKYCXBNL-UHFFFAOYSA-N
XLogP2.60
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-methyl-6-(4-methylpiperidine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indole]-2'-one?
The IUPAC name of 1'-methyl-6-(4-methylpiperidine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indole]-2'-one (CID 126459377) is 1'-methyl-6-(4-methylpiperidine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indole]-2'-one.
What is the SMILES notation for 1'-methyl-6-(4-methylpiperidine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indole]-2'-one?
The canonical SMILES for 1'-methyl-6-(4-methylpiperidine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indole]-2'-one is CC1CCN(C(=O)C2CC3CCCN3C23C(=O)N(C)c2ccccc23)CC1.
What is the InChIKey of 1'-methyl-6-(4-methylpiperidine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indole]-2'-one?
The InChIKey is OMSWJNBKYCXBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15-9-12-24(13-10-15)20(26)18-14-16-6-5-11-25(16)22(18)17-7-3-4-8-19(17)23(2)21(22)27/h3-4,7-8,15-16,18H,5-6,9-14H2,1-2H3.
What are the key properties of 1'-methyl-6-(4-methylpiperidine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indole]-2'-one?
1'-methyl-6-(4-methylpiperidine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indole]-2'-one has a molecular weight of 367.49 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-6-(4-methylpiperidine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indole]-2'-one is sourced from PubChem (CID 126459377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).