1-methyl-N-(3-methylbutyl)-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide

C19H27N3O2 — CID 91914363

IUPAC1-methyl-N-(3-methylbutyl)-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
SMILESCC(C)CCNC(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C19H27N3O2/c1-14(2)8-11-20-18(24)22-12-9-19(10-13-22)15-6-4-5-7-16(15)21(3)17(19)23/h4-7,14H,8-13H2,1-3H3,(H,20,24)
InChIKeySGIAHWJOKORATF-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.75
Rot. Bonds3

About 1-methyl-N-(3-methylbutyl)-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide

1-methyl-N-(3-methylbutyl)-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide (PubChem CID 91914363) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-methyl-N-(3-methylbutyl)-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-methylbutyl)-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
PubChem CID91914363
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-methyl-N-(3-methylbutyl)-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
SMILESCC(C)CCNC(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C19H27N3O2/c1-14(2)8-11-20-18(24)22-12-9-19(10-13-22)15-6-4-5-7-16(15)21(3)17(19)23/h4-7,14H,8-13H2,1-3H3,(H,20,24)
InChIKeySGIAHWJOKORATF-UHFFFAOYSA-N
XLogP2.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylbutyl)-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of 1-methyl-N-(3-methylbutyl)-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide (CID 91914363) is 1-methyl-N-(3-methylbutyl)-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-methylbutyl)-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 1-methyl-N-(3-methylbutyl)-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide is CC(C)CCNC(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12.
What is the InChIKey of 1-methyl-N-(3-methylbutyl)-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is SGIAHWJOKORATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)8-11-20-18(24)22-12-9-19(10-13-22)15-6-4-5-7-16(15)21(3)17(19)23/h4-7,14H,8-13H2,1-3H3,(H,20,24).
What are the key properties of 1-methyl-N-(3-methylbutyl)-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide?
1-methyl-N-(3-methylbutyl)-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylbutyl)-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 91914363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).