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

C20H29N3O — CID 23737880

IUPACN-ethyl-5-methyl-1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESC=C(C)CN1CCC2(CC1)CN(C(=O)NCC)c1ccc(C)cc12
InChIInChI=1S/C20H29N3O/c1-5-21-19(24)23-14-20(17-12-16(4)6-7-18(17)23)8-10-22(11-9-20)13-15(2)3/h6-7,12H,2,5,8-11,13-14H2,1,3-4H3,(H,21,24)
InChIKeyRAEHWJKGNPMAHJ-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.45
Rot. Bonds3

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

N-ethyl-5-methyl-1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23737880) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is N-ethyl-5-methyl-1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID23737880
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameN-ethyl-5-methyl-1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESC=C(C)CN1CCC2(CC1)CN(C(=O)NCC)c1ccc(C)cc12
InChIInChI=1S/C20H29N3O/c1-5-21-19(24)23-14-20(17-12-16(4)6-7-18(17)23)8-10-22(11-9-20)13-15(2)3/h6-7,12H,2,5,8-11,13-14H2,1,3-4H3,(H,21,24)
InChIKeyRAEHWJKGNPMAHJ-UHFFFAOYSA-N
XLogP3.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of N-ethyl-5-methyl-1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23737880) is N-ethyl-5-methyl-1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for N-ethyl-5-methyl-1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for N-ethyl-5-methyl-1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is C=C(C)CN1CCC2(CC1)CN(C(=O)NCC)c1ccc(C)cc12.
What is the InChIKey of N-ethyl-5-methyl-1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is RAEHWJKGNPMAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-5-21-19(24)23-14-20(17-12-16(4)6-7-18(17)23)8-10-22(11-9-20)13-15(2)3/h6-7,12H,2,5,8-11,13-14H2,1,3-4H3,(H,21,24).
What are the key properties of N-ethyl-5-methyl-1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
N-ethyl-5-methyl-1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 327.47 g/mol, XLogP of 3.45, 3 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'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23737880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).