1'-[(3-chlorophenyl)methyl]-N-ethyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide

C23H28ClN3O — CID 23993427

IUPAC1'-[(3-chlorophenyl)methyl]-N-ethyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCCNC(=O)N1CC2(CCN(Cc3cccc(Cl)c3)CC2)c2cc(C)ccc21
InChIInChI=1S/C23H28ClN3O/c1-3-25-22(28)27-16-23(20-13-17(2)7-8-21(20)27)9-11-26(12-10-23)15-18-5-4-6-19(24)14-18/h4-8,13-14H,3,9-12,15-16H2,1-2H3,(H,25,28)
InChIKeyKFOXIXOXWGUSTN-UHFFFAOYSA-N
MW397.95 g/mol
LogP4.73
Rot. Bonds3

About 1'-[(3-chlorophenyl)methyl]-N-ethyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide

1'-[(3-chlorophenyl)methyl]-N-ethyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23993427) has the molecular formula C23H28ClN3O and a molecular weight of 397.95 g/mol. Its IUPAC name is 1'-[(3-chlorophenyl)methyl]-N-ethyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-[(3-chlorophenyl)methyl]-N-ethyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID23993427
Molecular FormulaC23H28ClN3O
Molecular Weight397.95 g/mol
Exact Mass397.19
IUPAC Name1'-[(3-chlorophenyl)methyl]-N-ethyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCCNC(=O)N1CC2(CCN(Cc3cccc(Cl)c3)CC2)c2cc(C)ccc21
InChIInChI=1S/C23H28ClN3O/c1-3-25-22(28)27-16-23(20-13-17(2)7-8-21(20)27)9-11-26(12-10-23)15-18-5-4-6-19(24)14-18/h4-8,13-14H,3,9-12,15-16H2,1-2H3,(H,25,28)
InChIKeyKFOXIXOXWGUSTN-UHFFFAOYSA-N
XLogP4.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1'-[(3-chlorophenyl)methyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-3-phenylpropan-1-one
CID 23770953
N-ethyl-5-methyl-1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23737880
N-cyclohexyl-5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23909492
N-ethyl-5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23903479
3-methyl-1-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]butan-1-one
CID 23826004
(3-bromophenyl)-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 23767030
N-(2,4-difluorophenyl)-5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23854299
[1'-[(3-chlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone
CID 23963856
3-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carbonyl]benzonitrile
CID 23990897
1'-ethyl-N-(4-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23798613
[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
N-(4-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23854059

Frequently Asked Questions

What is the IUPAC name of 1'-[(3-chlorophenyl)methyl]-N-ethyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-[(3-chlorophenyl)methyl]-N-ethyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23993427) is 1'-[(3-chlorophenyl)methyl]-N-ethyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1'-[(3-chlorophenyl)methyl]-N-ethyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-[(3-chlorophenyl)methyl]-N-ethyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is CCNC(=O)N1CC2(CCN(Cc3cccc(Cl)c3)CC2)c2cc(C)ccc21.
What is the InChIKey of 1'-[(3-chlorophenyl)methyl]-N-ethyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is KFOXIXOXWGUSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O/c1-3-25-22(28)27-16-23(20-13-17(2)7-8-21(20)27)9-11-26(12-10-23)15-18-5-4-6-19(24)14-18/h4-8,13-14H,3,9-12,15-16H2,1-2H3,(H,25,28).
What are the key properties of 1'-[(3-chlorophenyl)methyl]-N-ethyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
1'-[(3-chlorophenyl)methyl]-N-ethyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 397.95 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3-chlorophenyl)methyl]-N-ethyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23993427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).