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

C23H38FN3O2 — CID 152796291

IUPACN-[3-(3-cyclopropylmorpholin-4-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCC(F)C2CC(C(=O)NC3CCCC(N4CCOCC4C4CC4)C3)NC12
InChIInChI=1S/C23H38FN3O2/c1-14-5-8-19(24)18-12-20(26-22(14)18)23(28)25-16-3-2-4-17(11-16)27-9-10-29-13-21(27)15-6-7-15/h14-22,26H,2-13H2,1H3,(H,25,28)
InChIKeyRBXVEQMOYDWSGE-UHFFFAOYSA-N
MW407.57 g/mol
LogP2.64
Rot. Bonds4

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

N-[3-(3-cyclopropylmorpholin-4-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 152796291) has the molecular formula C23H38FN3O2 and a molecular weight of 407.57 g/mol. Its IUPAC name is N-[3-(3-cyclopropylmorpholin-4-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-cyclopropylmorpholin-4-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID152796291
Molecular FormulaC23H38FN3O2
Molecular Weight407.57 g/mol
Exact Mass407.29
IUPAC NameN-[3-(3-cyclopropylmorpholin-4-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCC(F)C2CC(C(=O)NC3CCCC(N4CCOCC4C4CC4)C3)NC12
InChIInChI=1S/C23H38FN3O2/c1-14-5-8-19(24)18-12-20(26-22(14)18)23(28)25-16-3-2-4-17(11-16)27-9-10-29-13-21(27)15-6-7-15/h14-22,26H,2-13H2,1H3,(H,25,28)
InChIKeyRBXVEQMOYDWSGE-UHFFFAOYSA-N
XLogP2.64
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.57
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(3-cyclopropylmorpholin-4-yl)cyclohexyl]-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-[(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-[(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
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
4-fluoro-N-[3-(4-methoxypiperidin-1-yl)cyclohexyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 146955310
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-N-[3-[4-(2-fluoroacetyl)piperazin-1-yl]cyclohexyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167380577
N-[(1R,3R)-3-[(9aS)-4-oxo-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167348726
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
4-fluoro-7-methyl-N-[(1S,3S)-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167348495
N-[(1R,3S)-3-[(8aS)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 148779632
4-fluoro-7-methyl-N-[3-(1,3,4-oxadiazolidin-2-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167380578
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyclopropylmorpholin-4-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(3-cyclopropylmorpholin-4-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 152796291) is N-[3-(3-cyclopropylmorpholin-4-yl)cyclohexyl]-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-(3-cyclopropylmorpholin-4-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(3-cyclopropylmorpholin-4-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CC1CCC(F)C2CC(C(=O)NC3CCCC(N4CCOCC4C4CC4)C3)NC12.
What is the InChIKey of N-[3-(3-cyclopropylmorpholin-4-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is RBXVEQMOYDWSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38FN3O2/c1-14-5-8-19(24)18-12-20(26-22(14)18)23(28)25-16-3-2-4-17(11-16)27-9-10-29-13-21(27)15-6-7-15/h14-22,26H,2-13H2,1H3,(H,25,28).
What are the key properties of N-[3-(3-cyclopropylmorpholin-4-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[3-(3-cyclopropylmorpholin-4-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 407.57 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyclopropylmorpholin-4-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 152796291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).