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

C19H17ClN2O2 — CID 56892371

IUPAC1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C(c1ccc(Cl)cc1)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C19H17ClN2O2/c20-14-7-5-13(6-8-14)17(23)22-11-9-19(10-12-22)15-3-1-2-4-16(15)21-18(19)24/h1-8H,9-12H2,(H,21,24)
InChIKeySFRQCRIIQGDATE-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.47
Rot. Bonds1

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

1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 56892371) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID56892371
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C(c1ccc(Cl)cc1)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C19H17ClN2O2/c20-14-7-5-13(6-8-14)17(23)22-11-9-19(10-12-22)15-3-1-2-4-16(15)21-18(19)24/h1-8H,9-12H2,(H,21,24)
InChIKeySFRQCRIIQGDATE-UHFFFAOYSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one (CID 56892371) is 1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one is O=C(c1ccc(Cl)cc1)N1CCC2(CC1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is SFRQCRIIQGDATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c20-14-7-5-13(6-8-14)17(23)22-11-9-19(10-12-22)15-3-1-2-4-16(15)21-18(19)24/h1-8H,9-12H2,(H,21,24).
What are the key properties of 1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one?
1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 340.81 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 56892371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).