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

C27H32F2N4O2 — CID 59433414

IUPAC5-fluoro-1'-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(C3CCN(C(=O)c4cccc(F)c4)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C27H32F2N4O2/c1-30(2)26(35)33-18-27(23-17-21(29)6-7-24(23)33)10-14-31(15-11-27)22-8-12-32(13-9-22)25(34)19-4-3-5-20(28)16-19/h3-7,16-17,22H,8-15,18H2,1-2H3
InChIKeyMRFIUWSMGLDQCB-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.10
Rot. Bonds2

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

5-fluoro-1'-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 59433414) has the molecular formula C27H32F2N4O2 and a molecular weight of 482.58 g/mol. Its IUPAC name is 5-fluoro-1'-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-1'-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID59433414
Molecular FormulaC27H32F2N4O2
Molecular Weight482.58 g/mol
Exact Mass482.25
IUPAC Name5-fluoro-1'-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(C3CCN(C(=O)c4cccc(F)c4)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C27H32F2N4O2/c1-30(2)26(35)33-18-27(23-17-21(29)6-7-24(23)33)10-14-31(15-11-27)22-8-12-32(13-9-22)25(34)19-4-3-5-20(28)16-19/h3-7,16-17,22H,8-15,18H2,1-2H3
InChIKeyMRFIUWSMGLDQCB-UHFFFAOYSA-N
XLogP4.10
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-1'-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide with MolForge

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Related Compounds

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-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 59433277
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
5-fluoro-N,N-dimethyl-1'-(1-pyridin-3-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23651582
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
methyl 4-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 24798108
[1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3-fluorophenyl)methanone
CID 59003926
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479
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
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
ethyl 4-[5-fluoro-1-(4-methoxybenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 11518875

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1'-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 5-fluoro-1'-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 59433414) is 5-fluoro-1'-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 5-fluoro-1'-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 5-fluoro-1'-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is CN(C)C(=O)N1CC2(CCN(C3CCN(C(=O)c4cccc(F)c4)CC3)CC2)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1'-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is MRFIUWSMGLDQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N4O2/c1-30(2)26(35)33-18-27(23-17-21(29)6-7-24(23)33)10-14-31(15-11-27)22-8-12-32(13-9-22)25(34)19-4-3-5-20(28)16-19/h3-7,16-17,22H,8-15,18H2,1-2H3.
What are the key properties of 5-fluoro-1'-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
5-fluoro-1'-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1'-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 59433414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).