N-[3-(1-acetyl-4-methylpiperidin-4-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C24H39F2N3O2 — CID 167348704

IUPACN-[3-(1-acetyl-4-methylpiperidin-4-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC(=O)N1CCC(C)(C2CC(F)CC(NC(=O)C3CC4C(F)CCC(C)C4N3)C2)CC1
InChIInChI=1S/C24H39F2N3O2/c1-14-4-5-20(26)19-13-21(28-22(14)19)23(31)27-18-11-16(10-17(25)12-18)24(3)6-8-29(9-7-24)15(2)30/h14,16-22,28H,4-13H2,1-3H3,(H,27,31)
InChIKeyNQTSBNNIEYYYJA-UHFFFAOYSA-N
MW439.59 g/mol
LogP3.37
Rot. Bonds3

About N-[3-(1-acetyl-4-methylpiperidin-4-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-[3-(1-acetyl-4-methylpiperidin-4-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 167348704) has the molecular formula C24H39F2N3O2 and a molecular weight of 439.59 g/mol. Its IUPAC name is N-[3-(1-acetyl-4-methylpiperidin-4-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-acetyl-4-methylpiperidin-4-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID167348704
Molecular FormulaC24H39F2N3O2
Molecular Weight439.59 g/mol
Exact Mass439.30
IUPAC NameN-[3-(1-acetyl-4-methylpiperidin-4-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC(=O)N1CCC(C)(C2CC(F)CC(NC(=O)C3CC4C(F)CCC(C)C4N3)C2)CC1
InChIInChI=1S/C24H39F2N3O2/c1-14-4-5-20(26)19-13-21(28-22(14)19)23(31)27-18-11-16(10-17(25)12-18)24(3)6-8-29(9-7-24)15(2)30/h14,16-22,28H,4-13H2,1-3H3,(H,27,31)
InChIKeyNQTSBNNIEYYYJA-UHFFFAOYSA-N
XLogP3.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.59
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(1-acetyl-4-methylpiperidin-4-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[(3R,5R)-5-(4-acetylpiperazin-1-yl)-1-methylpiperidin-3-yl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167348441
N-[(1R,3R)-3-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167348662
N-[(1R,3S)-3-[(2S)-4-acetyl-2-methylpiperazin-1-yl]cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167348800
N-[3-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 147951633
N-[3-(6,6-difluoro-2,8-diazaspiro[4.5]decan-2-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167380524
N-[(1R,3R)-3-(4-acetyl-3-methylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167348529
N-[3-(5-amino-1,2,4-triazolidin-3-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 147183732
N-[(1R,3R)-3-(3-acetamidopyrrolidin-1-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167380446
4-fluoro-7-methyl-N-[(1S,3S)-3-piperidin-4-ylcyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 152933667
N-[(1R,3R)-3-[(3R)-4-acetyl-3-(trifluoromethyl)piperazin-1-yl]cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167348453
N-[3-[4-acetyl-3-(trifluoromethyl)piperazin-1-yl]cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167380431
4-fluoro-7-methyl-N-[3-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167348507

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-acetyl-4-methylpiperidin-4-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(1-acetyl-4-methylpiperidin-4-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 167348704) is N-[3-(1-acetyl-4-methylpiperidin-4-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(1-acetyl-4-methylpiperidin-4-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(1-acetyl-4-methylpiperidin-4-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CC(=O)N1CCC(C)(C2CC(F)CC(NC(=O)C3CC4C(F)CCC(C)C4N3)C2)CC1.
What is the InChIKey of N-[3-(1-acetyl-4-methylpiperidin-4-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is NQTSBNNIEYYYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39F2N3O2/c1-14-4-5-20(26)19-13-21(28-22(14)19)23(31)27-18-11-16(10-17(25)12-18)24(3)6-8-29(9-7-24)15(2)30/h14,16-22,28H,4-13H2,1-3H3,(H,27,31).
What are the key properties of N-[3-(1-acetyl-4-methylpiperidin-4-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[3-(1-acetyl-4-methylpiperidin-4-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 439.59 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-acetyl-4-methylpiperidin-4-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 167348704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).