(6-chloro-1H-indol-3-yl)-[(2R)-spiro[2H-1-benzofuran-3,4'-piperidine]-2-yl]methanone

C21H19ClN2O2 — CID 69327154

IUPAC(6-chloro-1H-indol-3-yl)-[(2R)-spiro[2H-1-benzofuran-3,4'-piperidine]-2-yl]methanone
SMILESO=C(c1c[nH]c2cc(Cl)ccc12)[C@@H]1Oc2ccccc2C12CCNCC2
InChIInChI=1S/C21H19ClN2O2/c22-13-5-6-14-15(12-24-17(14)11-13)19(25)20-21(7-9-23-10-8-21)16-3-1-2-4-18(16)26-20/h1-6,11-12,20,23-24H,7-10H2/t20-/m0/s1
InChIKeyITHKOUVMGLSTMH-FQEVSTJZSA-N
MW366.85 g/mol
LogP4.09
Rot. Bonds2

About (6-chloro-1H-indol-3-yl)-[(2R)-spiro[2H-1-benzofuran-3,4'-piperidine]-2-yl]methanone

(6-chloro-1H-indol-3-yl)-[(2R)-spiro[2H-1-benzofuran-3,4'-piperidine]-2-yl]methanone (PubChem CID 69327154) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is (6-chloro-1H-indol-3-yl)-[(2R)-spiro[2H-1-benzofuran-3,4'-piperidine]-2-yl]methanone.

Molecular Properties

Compound Name(6-chloro-1H-indol-3-yl)-[(2R)-spiro[2H-1-benzofuran-3,4'-piperidine]-2-yl]methanone
PubChem CID69327154
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name(6-chloro-1H-indol-3-yl)-[(2R)-spiro[2H-1-benzofuran-3,4'-piperidine]-2-yl]methanone
SMILESO=C(c1c[nH]c2cc(Cl)ccc12)[C@@H]1Oc2ccccc2C12CCNCC2
InChIInChI=1S/C21H19ClN2O2/c22-13-5-6-14-15(12-24-17(14)11-13)19(25)20-21(7-9-23-10-8-21)16-3-1-2-4-18(16)26-20/h1-6,11-12,20,23-24H,7-10H2/t20-/m0/s1
InChIKeyITHKOUVMGLSTMH-FQEVSTJZSA-N
XLogP4.09
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-1H-indol-3-yl)-[(2R)-spiro[2H-1-benzofuran-3,4'-piperidine]-2-yl]methanone?
The IUPAC name of (6-chloro-1H-indol-3-yl)-[(2R)-spiro[2H-1-benzofuran-3,4'-piperidine]-2-yl]methanone (CID 69327154) is (6-chloro-1H-indol-3-yl)-[(2R)-spiro[2H-1-benzofuran-3,4'-piperidine]-2-yl]methanone.
What is the SMILES notation for (6-chloro-1H-indol-3-yl)-[(2R)-spiro[2H-1-benzofuran-3,4'-piperidine]-2-yl]methanone?
The canonical SMILES for (6-chloro-1H-indol-3-yl)-[(2R)-spiro[2H-1-benzofuran-3,4'-piperidine]-2-yl]methanone is O=C(c1c[nH]c2cc(Cl)ccc12)[C@@H]1Oc2ccccc2C12CCNCC2.
What is the InChIKey of (6-chloro-1H-indol-3-yl)-[(2R)-spiro[2H-1-benzofuran-3,4'-piperidine]-2-yl]methanone?
The InChIKey is ITHKOUVMGLSTMH-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c22-13-5-6-14-15(12-24-17(14)11-13)19(25)20-21(7-9-23-10-8-21)16-3-1-2-4-18(16)26-20/h1-6,11-12,20,23-24H,7-10H2/t20-/m0/s1.
What are the key properties of (6-chloro-1H-indol-3-yl)-[(2R)-spiro[2H-1-benzofuran-3,4'-piperidine]-2-yl]methanone?
(6-chloro-1H-indol-3-yl)-[(2R)-spiro[2H-1-benzofuran-3,4'-piperidine]-2-yl]methanone has a molecular weight of 366.85 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1H-indol-3-yl)-[(2R)-spiro[2H-1-benzofuran-3,4'-piperidine]-2-yl]methanone is sourced from PubChem (CID 69327154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).