[1'-[(3-chlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone

C31H29ClN2O2 — CID 23963856

IUPAC[1'-[(3-chlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone
SMILESCOc1ccc2c(c1)C1(CCN(Cc3cccc(Cl)c3)CC1)CN2C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C31H29ClN2O2/c1-36-27-11-12-29-28(19-27)31(13-15-33(16-14-31)20-22-5-4-8-26(32)17-22)21-34(29)30(35)25-10-9-23-6-2-3-7-24(23)18-25/h2-12,17-19H,13-16,20-21H2,1H3
InChIKeyHRRHZDYUPLWJCP-UHFFFAOYSA-N
MW497.04 g/mol
LogP6.70
Rot. Bonds4

About [1'-[(3-chlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone

[1'-[(3-chlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone (PubChem CID 23963856) has the molecular formula C31H29ClN2O2 and a molecular weight of 497.04 g/mol. Its IUPAC name is [1'-[(3-chlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[1'-[(3-chlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone
PubChem CID23963856
Molecular FormulaC31H29ClN2O2
Molecular Weight497.04 g/mol
Exact Mass496.19
IUPAC Name[1'-[(3-chlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone
SMILESCOc1ccc2c(c1)C1(CCN(Cc3cccc(Cl)c3)CC1)CN2C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C31H29ClN2O2/c1-36-27-11-12-29-28(19-27)31(13-15-33(16-14-31)20-22-5-4-8-26(32)17-22)21-34(29)30(35)25-10-9-23-6-2-3-7-24(23)18-25/h2-12,17-19H,13-16,20-21H2,1H3
InChIKeyHRRHZDYUPLWJCP-UHFFFAOYSA-N
XLogP6.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.04
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methoxy-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone
CID 23997047
[5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone
CID 23937588
(3,5-dichlorophenyl)-[1'-[(3,4-dichlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 23827326
(3,4-dichlorophenyl)-[5-methoxy-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 23962072
1-[1'-[(3-chlorophenyl)methyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-3-phenylpropan-1-one
CID 23770953
1'-[(3-chlorophenyl)methyl]-N-ethyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23993427
[1'-[(3-chlorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 23884017
(3-bromophenyl)-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 23767030
[1'-(cyclopropylmethyl)-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methylphenyl)methanone
CID 23933633
1-[5-methoxy-1'-[(4-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbutan-1-one
CID 23963182
(4-fluorophenyl)-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
CID 23826544
[1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methoxyphenyl)methanone
CID 11246409

Frequently Asked Questions

What is the IUPAC name of [1'-[(3-chlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [1'-[(3-chlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone (CID 23963856) is [1'-[(3-chlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [1'-[(3-chlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [1'-[(3-chlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone is COc1ccc2c(c1)C1(CCN(Cc3cccc(Cl)c3)CC1)CN2C(=O)c1ccc2ccccc2c1.
What is the InChIKey of [1'-[(3-chlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone?
The InChIKey is HRRHZDYUPLWJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29ClN2O2/c1-36-27-11-12-29-28(19-27)31(13-15-33(16-14-31)20-22-5-4-8-26(32)17-22)21-34(29)30(35)25-10-9-23-6-2-3-7-24(23)18-25/h2-12,17-19H,13-16,20-21H2,1H3.
What are the key properties of [1'-[(3-chlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone?
[1'-[(3-chlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone has a molecular weight of 497.04 g/mol, XLogP of 6.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1'-[(3-chlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 23963856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).