N-ethyl-5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide

C25H31N3O — CID 23903479

IUPACN-ethyl-5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCCNC(=O)N1CC2(CCN(CC=Cc3ccccc3)CC2)c2cc(C)ccc21
InChIInChI=1S/C25H31N3O/c1-3-26-24(29)28-19-25(22-18-20(2)11-12-23(22)28)13-16-27(17-14-25)15-7-10-21-8-5-4-6-9-21/h4-12,18H,3,13-17,19H2,1-2H3,(H,26,29)
InChIKeyWSRKZHLXHQTANJ-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.59
Rot. Bonds4

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

N-ethyl-5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23903479) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is N-ethyl-5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID23903479
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC NameN-ethyl-5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCCNC(=O)N1CC2(CCN(CC=Cc3ccccc3)CC2)c2cc(C)ccc21
InChIInChI=1S/C25H31N3O/c1-3-26-24(29)28-19-25(22-18-20(2)11-12-23(22)28)13-16-27(17-14-25)15-7-10-21-8-5-4-6-9-21/h4-12,18H,3,13-17,19H2,1-2H3,(H,26,29)
InChIKeyWSRKZHLXHQTANJ-UHFFFAOYSA-N
XLogP4.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)methyl 5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 23911681
5-fluoro-N-(4-fluorophenyl)-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23876609
N-ethyl-5-methyl-1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23737880
1'-[(3-chlorophenyl)methyl]-N-ethyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23993427
N-(2-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23769527
(3,4-dichlorophenyl)-[5-methoxy-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 23962072
1'-ethyl-N-(4-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23798613
N-(4-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23854059
(2-chloro-4H-azepin-5-yl)-[1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;ethane
CID 142841860
N-(3-fluorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23740559
5-fluoro-1'-(3-methylbut-2-enyl)-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23769084
1-[5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-thiophen-2-ylethanone
CID 23961555

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of N-ethyl-5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23903479) is N-ethyl-5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for N-ethyl-5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for N-ethyl-5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is CCNC(=O)N1CC2(CCN(CC=Cc3ccccc3)CC2)c2cc(C)ccc21.
What is the InChIKey of N-ethyl-5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is WSRKZHLXHQTANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-3-26-24(29)28-19-25(22-18-20(2)11-12-23(22)28)13-16-27(17-14-25)15-7-10-21-8-5-4-6-9-21/h4-12,18H,3,13-17,19H2,1-2H3,(H,26,29).
What are the key properties of N-ethyl-5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
N-ethyl-5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23903479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).