1-(6-methoxy-1H-indole-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one

C22H21N3O3 — CID 68815259

IUPAC1-(6-methoxy-1H-indole-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCOc1ccc2cc(C(=O)N3C(=O)C4(CCNCC4)c4ccccc43)[nH]c2c1
InChIInChI=1S/C22H21N3O3/c1-28-15-7-6-14-12-18(24-17(14)13-15)20(26)25-19-5-3-2-4-16(19)22(21(25)27)8-10-23-11-9-22/h2-7,12-13,23-24H,8-11H2,1H3
InChIKeyFTCZICJEEXGVJC-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.98
Rot. Bonds2

About 1-(6-methoxy-1H-indole-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one

1-(6-methoxy-1H-indole-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 68815259) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-(6-methoxy-1H-indole-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-(6-methoxy-1H-indole-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID68815259
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name1-(6-methoxy-1H-indole-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCOc1ccc2cc(C(=O)N3C(=O)C4(CCNCC4)c4ccccc43)[nH]c2c1
InChIInChI=1S/C22H21N3O3/c1-28-15-7-6-14-12-18(24-17(14)13-15)20(26)25-19-5-3-2-4-16(19)22(21(25)27)8-10-23-11-9-22/h2-7,12-13,23-24H,8-11H2,1H3
InChIKeyFTCZICJEEXGVJC-UHFFFAOYSA-N
XLogP2.98
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(6-methoxy-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 59740550
tert-butyl 2-oxospiro[indole-3,4'-piperidine]-1-carboxylate
CID 69184428
1-(3-methyl-1H-indene-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 69089848
6-methoxy-1-[(4-methoxyphenyl)methyl]spiro[indole-3,4'-piperidine]-2-one
CID 15982400
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
2-(6-methoxy-2-oxospiro[indole-3,4'-piperidine]-1-yl)ethyl acetate
CID 15982399
(2,6-dimethylmorpholin-4-yl)-(6-methoxy-1H-indol-2-yl)methanone
CID 4870192
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 46445914
1-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38494769
(6-methoxy-1H-indol-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38488127
(5-methoxy-1H-indol-2-yl)-[(3R)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
CID 57398637
[3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 156611412

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1H-indole-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-(6-methoxy-1H-indole-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one (CID 68815259) is 1-(6-methoxy-1H-indole-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-(6-methoxy-1H-indole-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-(6-methoxy-1H-indole-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one is COc1ccc2cc(C(=O)N3C(=O)C4(CCNCC4)c4ccccc43)[nH]c2c1.
What is the InChIKey of 1-(6-methoxy-1H-indole-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is FTCZICJEEXGVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-28-15-7-6-14-12-18(24-17(14)13-15)20(26)25-19-5-3-2-4-16(19)22(21(25)27)8-10-23-11-9-22/h2-7,12-13,23-24H,8-11H2,1H3.
What are the key properties of 1-(6-methoxy-1H-indole-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
1-(6-methoxy-1H-indole-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 375.43 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1H-indole-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 68815259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).