(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-(2-fluorophenyl)methanone

C19H18ClFN2O — CID 97448929

IUPAC(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CC2(CCNCC2)c2cc(Cl)ccc21
InChIInChI=1S/C19H18ClFN2O/c20-13-5-6-17-15(11-13)19(7-9-22-10-8-19)12-23(17)18(24)14-3-1-2-4-16(14)21/h1-6,11,22H,7-10,12H2
InChIKeyHDGHTLLMODIPBE-UHFFFAOYSA-N
MW344.82 g/mol
LogP3.76
Rot. Bonds1

About (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-(2-fluorophenyl)methanone

(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-(2-fluorophenyl)methanone (PubChem CID 97448929) has the molecular formula C19H18ClFN2O and a molecular weight of 344.82 g/mol. Its IUPAC name is (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-(2-fluorophenyl)methanone
PubChem CID97448929
Molecular FormulaC19H18ClFN2O
Molecular Weight344.82 g/mol
Exact Mass344.11
IUPAC Name(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CC2(CCNCC2)c2cc(Cl)ccc21
InChIInChI=1S/C19H18ClFN2O/c20-13-5-6-17-15(11-13)19(7-9-22-10-8-19)12-23(17)18(24)14-3-1-2-4-16(14)21/h1-6,11,22H,7-10,12H2
InChIKeyHDGHTLLMODIPBE-UHFFFAOYSA-N
XLogP3.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-(2-fluorophenyl)methanone (CID 97448929) is (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CC2(CCNCC2)c2cc(Cl)ccc21.
What is the InChIKey of (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-(2-fluorophenyl)methanone?
The InChIKey is HDGHTLLMODIPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O/c20-13-5-6-17-15(11-13)19(7-9-22-10-8-19)12-23(17)18(24)14-3-1-2-4-16(14)21/h1-6,11,22H,7-10,12H2.
What are the key properties of (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-(2-fluorophenyl)methanone?
(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-(2-fluorophenyl)methanone has a molecular weight of 344.82 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 97448929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).