(3,5-dichlorophenyl)-[1'-[(3,4-dichlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone

C27H24Cl4N2O2 — CID 23827326

IUPAC(3,5-dichlorophenyl)-[1'-[(3,4-dichlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone
SMILESCOc1ccc2c(c1)C1(CCN(Cc3ccc(Cl)c(Cl)c3)CC1)CN2C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C27H24Cl4N2O2/c1-35-21-3-5-25-22(14-21)27(16-33(25)26(34)18-11-19(28)13-20(29)12-18)6-8-32(9-7-27)15-17-2-4-23(30)24(31)10-17/h2-5,10-14H,6-9,15-16H2,1H3
InChIKeyUNXMWHRPJLNHJN-UHFFFAOYSA-N
MW550.31 g/mol
LogP7.50
Rot. Bonds4

About (3,5-dichlorophenyl)-[1'-[(3,4-dichlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone

(3,5-dichlorophenyl)-[1'-[(3,4-dichlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone (PubChem CID 23827326) has the molecular formula C27H24Cl4N2O2 and a molecular weight of 550.31 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-[1'-[(3,4-dichlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-[1'-[(3,4-dichlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone
PubChem CID23827326
Molecular FormulaC27H24Cl4N2O2
Molecular Weight550.31 g/mol
Exact Mass548.06
IUPAC Name(3,5-dichlorophenyl)-[1'-[(3,4-dichlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone
SMILESCOc1ccc2c(c1)C1(CCN(Cc3ccc(Cl)c(Cl)c3)CC1)CN2C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C27H24Cl4N2O2/c1-35-21-3-5-25-22(14-21)27(16-33(25)26(34)18-11-19(28)13-20(29)12-18)6-8-32(9-7-27)15-17-2-4-23(30)24(31)10-17/h2-5,10-14H,6-9,15-16H2,1H3
InChIKeyUNXMWHRPJLNHJN-UHFFFAOYSA-N
XLogP7.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.31
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1'-[(3-chlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone
CID 23963856
(3,4-dichlorophenyl)-[5-methoxy-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 23962072
1-[5-methoxy-1'-[(4-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbutan-1-one
CID 23963182
[1'-(cyclopropylmethyl)-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methylphenyl)methanone
CID 23933633
methyl 4-[[1-(2-chloropyridine-4-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]benzoate
CID 23855468
(4-fluorophenyl)-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
CID 23826544
(3,5-dichlorophenyl)-(5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
CID 23989391
[1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3,5-dichlorophenyl)methanone
CID 59004130
[5-methoxy-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone
CID 23997047
methyl 4-[[1-[(4-chlorophenyl)carbamoyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]benzoate
CID 23764355
(1'-cyclopropyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl)-(3,5-dichlorophenyl)methanone
CID 23959121
(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 53344855

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-[1'-[(3,4-dichlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
The IUPAC name of (3,5-dichlorophenyl)-[1'-[(3,4-dichlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone (CID 23827326) is (3,5-dichlorophenyl)-[1'-[(3,4-dichlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone.
What is the SMILES notation for (3,5-dichlorophenyl)-[1'-[(3,4-dichlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
The canonical SMILES for (3,5-dichlorophenyl)-[1'-[(3,4-dichlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone is COc1ccc2c(c1)C1(CCN(Cc3ccc(Cl)c(Cl)c3)CC1)CN2C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3,5-dichlorophenyl)-[1'-[(3,4-dichlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
The InChIKey is UNXMWHRPJLNHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl4N2O2/c1-35-21-3-5-25-22(14-21)27(16-33(25)26(34)18-11-19(28)13-20(29)12-18)6-8-32(9-7-27)15-17-2-4-23(30)24(31)10-17/h2-5,10-14H,6-9,15-16H2,1H3.
What are the key properties of (3,5-dichlorophenyl)-[1'-[(3,4-dichlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
(3,5-dichlorophenyl)-[1'-[(3,4-dichlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone has a molecular weight of 550.31 g/mol, XLogP of 7.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-[1'-[(3,4-dichlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone is sourced from PubChem (CID 23827326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).