1'-[(4-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one

C20H21ClN2O — CID 134791382

IUPAC1'-[(4-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one
SMILESO=C1Nc2ccccc2CC12CCCN(Cc1ccc(Cl)cc1)C2
InChIInChI=1S/C20H21ClN2O/c21-17-8-6-15(7-9-17)13-23-11-3-10-20(14-23)12-16-4-1-2-5-18(16)22-19(20)24/h1-2,4-9H,3,10-14H2,(H,22,24)
InChIKeyNTNYVHFPOCZKSP-UHFFFAOYSA-N
MW340.85 g/mol
LogP4.12
Rot. Bonds2

About 1'-[(4-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one

1'-[(4-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one (PubChem CID 134791382) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is 1'-[(4-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(4-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one
PubChem CID134791382
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name1'-[(4-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one
SMILESO=C1Nc2ccccc2CC12CCCN(Cc1ccc(Cl)cc1)C2
InChIInChI=1S/C20H21ClN2O/c21-17-8-6-15(7-9-17)13-23-11-3-10-20(14-23)12-16-4-1-2-5-18(16)22-19(20)24/h1-2,4-9H,3,10-14H2,(H,22,24)
InChIKeyNTNYVHFPOCZKSP-UHFFFAOYSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-[(4-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one?
The IUPAC name of 1'-[(4-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one (CID 134791382) is 1'-[(4-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one.
What is the SMILES notation for 1'-[(4-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one?
The canonical SMILES for 1'-[(4-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one is O=C1Nc2ccccc2CC12CCCN(Cc1ccc(Cl)cc1)C2.
What is the InChIKey of 1'-[(4-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one?
The InChIKey is NTNYVHFPOCZKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c21-17-8-6-15(7-9-17)13-23-11-3-10-20(14-23)12-16-4-1-2-5-18(16)22-19(20)24/h1-2,4-9H,3,10-14H2,(H,22,24).
What are the key properties of 1'-[(4-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one?
1'-[(4-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one has a molecular weight of 340.85 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one is sourced from PubChem (CID 134791382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).