5-fluoro-1'-(3-methylbut-2-enyl)-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide

C21H30FN3O — CID 23769084

IUPAC5-fluoro-1'-(3-methylbut-2-enyl)-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCCCNC(=O)N1CC2(CCN(CC=C(C)C)CC2)c2cc(F)ccc21
InChIInChI=1S/C21H30FN3O/c1-4-10-23-20(26)25-15-21(18-14-17(22)5-6-19(18)25)8-12-24(13-9-21)11-7-16(2)3/h5-7,14H,4,8-13,15H2,1-3H3,(H,23,26)
InChIKeyBVWSYZZUWSXHFW-UHFFFAOYSA-N
MW359.49 g/mol
LogP4.07
Rot. Bonds4

About 5-fluoro-1'-(3-methylbut-2-enyl)-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide

5-fluoro-1'-(3-methylbut-2-enyl)-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23769084) has the molecular formula C21H30FN3O and a molecular weight of 359.49 g/mol. Its IUPAC name is 5-fluoro-1'-(3-methylbut-2-enyl)-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-1'-(3-methylbut-2-enyl)-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID23769084
Molecular FormulaC21H30FN3O
Molecular Weight359.49 g/mol
Exact Mass359.24
IUPAC Name5-fluoro-1'-(3-methylbut-2-enyl)-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCCCNC(=O)N1CC2(CCN(CC=C(C)C)CC2)c2cc(F)ccc21
InChIInChI=1S/C21H30FN3O/c1-4-10-23-20(26)25-15-21(18-14-17(22)5-6-19(18)25)8-12-24(13-9-21)11-7-16(2)3/h5-7,14H,4,8-13,15H2,1-3H3,(H,23,26)
InChIKeyBVWSYZZUWSXHFW-UHFFFAOYSA-N
XLogP4.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1'-cyclopropyl-5-fluoro-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23994922
1-[5-fluoro-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbut-2-en-1-one
CID 23733302
N-(3-fluorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23740559
N-(4-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23854059
5-fluoro-N-(4-fluorophenyl)-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23876609
N-(2-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23769527
1'-ethyl-N-(4-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23798613
5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid
CID 149159822
N-ethyl-5-methyl-1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23737880
N-ethyl-5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23903479
5-fluoro-N-(3-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23856682
1'-(cyclopropylmethyl)-5-fluoro-N-(3-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 59004167

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1'-(3-methylbut-2-enyl)-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 5-fluoro-1'-(3-methylbut-2-enyl)-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23769084) is 5-fluoro-1'-(3-methylbut-2-enyl)-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 5-fluoro-1'-(3-methylbut-2-enyl)-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 5-fluoro-1'-(3-methylbut-2-enyl)-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is CCCNC(=O)N1CC2(CCN(CC=C(C)C)CC2)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1'-(3-methylbut-2-enyl)-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is BVWSYZZUWSXHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O/c1-4-10-23-20(26)25-15-21(18-14-17(22)5-6-19(18)25)8-12-24(13-9-21)11-7-16(2)3/h5-7,14H,4,8-13,15H2,1-3H3,(H,23,26).
What are the key properties of 5-fluoro-1'-(3-methylbut-2-enyl)-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
5-fluoro-1'-(3-methylbut-2-enyl)-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 359.49 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1'-(3-methylbut-2-enyl)-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23769084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).