1'-[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide

C29H35FN4O4 — CID 59433202

IUPAC1'-[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(C3CCN(C(=O)C4COc5ccccc5O4)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C29H35FN4O4/c1-31(2)28(36)34-19-29(22-17-20(30)7-8-23(22)34)11-15-32(16-12-29)21-9-13-33(14-10-21)27(35)26-18-37-24-5-3-4-6-25(24)38-26/h3-8,17,21,26H,9-16,18-19H2,1-2H3
InChIKeyZDJGSRWGGLMZIN-UHFFFAOYSA-N
MW522.62 g/mol
LogP3.49
Rot. Bonds2

About 1'-[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide

1'-[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 59433202) has the molecular formula C29H35FN4O4 and a molecular weight of 522.62 g/mol. Its IUPAC name is 1'-[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID59433202
Molecular FormulaC29H35FN4O4
Molecular Weight522.62 g/mol
Exact Mass522.26
IUPAC Name1'-[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(C3CCN(C(=O)C4COc5ccccc5O4)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C29H35FN4O4/c1-31(2)28(36)34-19-29(22-17-20(30)7-8-23(22)34)11-15-32(16-12-29)21-9-13-33(14-10-21)27(35)26-18-37-24-5-3-4-6-25(24)38-26/h3-8,17,21,26H,9-16,18-19H2,1-2H3
InChIKeyZDJGSRWGGLMZIN-UHFFFAOYSA-N
XLogP3.49
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.62
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-1'-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 59433414
5-fluoro-N,N-dimethyl-1'-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 59433277
5-fluoro-N,N-dimethyl-1'-[1-(pyridine-2-carbonyl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 59433574
5-fluoro-N,N-dimethyl-1'-(1-pyridin-3-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23651582
methyl 4-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 24798108
5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23651433
1-[5-fluoro-1'-[4-(piperidine-1-carbonyl)cyclohexyl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
CID 59433818
methyl 6-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate
CID 70959438
N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23651713
1-[1'-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1'-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;N-[(1S)-1'-(1-methylpiperidin-4-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 161192049
but-2-enyl 3-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59433824
methyl 4-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)azepane-1-carboxylate
CID 59433877

Frequently Asked Questions

What is the IUPAC name of 1'-[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 59433202) is 1'-[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1'-[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is CN(C)C(=O)N1CC2(CCN(C3CCN(C(=O)C4COc5ccccc5O4)CC3)CC2)c2cc(F)ccc21.
What is the InChIKey of 1'-[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is ZDJGSRWGGLMZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN4O4/c1-31(2)28(36)34-19-29(22-17-20(30)7-8-23(22)34)11-15-32(16-12-29)21-9-13-33(14-10-21)27(35)26-18-37-24-5-3-4-6-25(24)38-26/h3-8,17,21,26H,9-16,18-19H2,1-2H3.
What are the key properties of 1'-[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
1'-[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 522.62 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 59433202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).