1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one

C18H23N3O2 — CID 97452604

IUPAC1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(C(=O)N3CCCC3)CC2)c2ccccc21
InChIInChI=1S/C18H23N3O2/c1-19-15-7-3-2-6-14(15)18(16(19)22)8-12-21(13-9-18)17(23)20-10-4-5-11-20/h2-3,6-7H,4-5,8-13H2,1H3
InChIKeyFJMIABWXNVKXRL-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.21
Rot. Bonds

About 1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one

1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 97452604) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID97452604
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(C(=O)N3CCCC3)CC2)c2ccccc21
InChIInChI=1S/C18H23N3O2/c1-19-15-7-3-2-6-14(15)18(16(19)22)8-12-21(13-9-18)17(23)20-10-4-5-11-20/h2-3,6-7H,4-5,8-13H2,1H3
InChIKeyFJMIABWXNVKXRL-UHFFFAOYSA-N
XLogP2.21
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1'-(cyclopentanecarbonyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177159
CID 59909654
CID 59909654
1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 91914380
1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 91914352
1-methyl-1'-(pyridine-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375637
1'-(2-hydroxy-4-methylpentanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 56919321
1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177130
(3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 95103905
N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177203
1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177144

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one (CID 97452604) is 1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one is CN1C(=O)C2(CCN(C(=O)N3CCCC3)CC2)c2ccccc21.
What is the InChIKey of 1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is FJMIABWXNVKXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-19-15-7-3-2-6-14(15)18(16(19)22)8-12-21(13-9-18)17(23)20-10-4-5-11-20/h2-3,6-7H,4-5,8-13H2,1H3.
What are the key properties of 1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 313.40 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 97452604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).