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

C21H17ClN2O3 — CID 59657599

IUPAC1'-(6-chloro-1H-indole-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)c2ccccc21
InChIInChI=1S/C21H17ClN2O3/c22-13-5-6-14-16(12-23-18(14)11-13)19(25)24-9-7-21(8-10-24)17-4-2-1-3-15(17)20(26)27-21/h1-6,11-12,23H,7-10H2
InChIKeyWXNWSOSXMBZDTL-UHFFFAOYSA-N
MW380.83 g/mol
LogP4.12
Rot. Bonds1

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

1'-(6-chloro-1H-indole-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 59657599) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is 1'-(6-chloro-1H-indole-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(6-chloro-1H-indole-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID59657599
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Name1'-(6-chloro-1H-indole-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)c2ccccc21
InChIInChI=1S/C21H17ClN2O3/c22-13-5-6-14-16(12-23-18(14)11-13)19(25)24-9-7-21(8-10-24)17-4-2-1-3-15(17)20(26)27-21/h1-6,11-12,23H,7-10H2
InChIKeyWXNWSOSXMBZDTL-UHFFFAOYSA-N
XLogP4.12
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(6-chloro-1H-indole-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-(6-chloro-1H-indole-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 59657599) is 1'-(6-chloro-1H-indole-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-(6-chloro-1H-indole-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-(6-chloro-1H-indole-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)c2ccccc21.
What is the InChIKey of 1'-(6-chloro-1H-indole-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is WXNWSOSXMBZDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c22-13-5-6-14-16(12-23-18(14)11-13)19(25)24-9-7-21(8-10-24)17-4-2-1-3-15(17)20(26)27-21/h1-6,11-12,23H,7-10H2.
What are the key properties of 1'-(6-chloro-1H-indole-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-(6-chloro-1H-indole-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 380.83 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(6-chloro-1H-indole-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 59657599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).