[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[3-(fluoromethyl)piperazin-1-yl]methanone

C22H30FN3O2 — CID 69491067

IUPAC[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[3-(fluoromethyl)piperazin-1-yl]methanone
SMILESCOc1cccc2c(C(=O)N3CCNC(CF)C3)cn(CC3CCCCC3)c12
InChIInChI=1S/C22H30FN3O2/c1-28-20-9-5-8-18-19(22(27)25-11-10-24-17(12-23)14-25)15-26(21(18)20)13-16-6-3-2-4-7-16/h5,8-9,15-17,24H,2-4,6-7,10-14H2,1H3
InChIKeyDHFLOPNNDHZSEU-UHFFFAOYSA-N
MW387.50 g/mol
LogP3.61
Rot. Bonds5

About [1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[3-(fluoromethyl)piperazin-1-yl]methanone

[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[3-(fluoromethyl)piperazin-1-yl]methanone (PubChem CID 69491067) has the molecular formula C22H30FN3O2 and a molecular weight of 387.50 g/mol. Its IUPAC name is [1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[3-(fluoromethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[3-(fluoromethyl)piperazin-1-yl]methanone
PubChem CID69491067
Molecular FormulaC22H30FN3O2
Molecular Weight387.50 g/mol
Exact Mass387.23
IUPAC Name[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[3-(fluoromethyl)piperazin-1-yl]methanone
SMILESCOc1cccc2c(C(=O)N3CCNC(CF)C3)cn(CC3CCCCC3)c12
InChIInChI=1S/C22H30FN3O2/c1-28-20-9-5-8-18-19(22(27)25-11-10-24-17(12-23)14-25)15-26(21(18)20)13-16-6-3-2-4-7-16/h5,8-9,15-17,24H,2-4,6-7,10-14H2,1H3
InChIKeyDHFLOPNNDHZSEU-UHFFFAOYSA-N
XLogP3.61
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[3-(fluoromethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[1-(cyclopentylmethyl)-7-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 59016067
[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]methanone
CID 52949820
1-(cyclohexylmethyl)-7-methoxyindole-3-carbonyl cyanide
CID 86613200
[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[(2R)-2-[(1S)-1-hydroxyethyl]-4-methylpiperazin-1-yl]methanone
CID 91453210
[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 69490579
[(6S,8aR)-6,8a-dimethyl-3,5,6,8-tetrahydro-1H-[1,3]thiazolo[3,4-a]pyrazin-7-yl]-[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]methanone;hydrochloride
CID 52946150
(7-methoxy-1-methylindol-3-yl)-piperazin-1-ylmethanone
CID 95432983
[3-[(4-fluorophenyl)methyl]piperazin-1-yl]-(7-methoxy-1H-indazol-3-yl)methanone
CID 167844040
(2-methoxyphenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82248431
methyl 5-[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-1,3-thiazole-2-carboxylate
CID 68700705
[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,3-dimethoxyphenyl)methanone
CID 42401886
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[3-(fluoromethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[3-(fluoromethyl)piperazin-1-yl]methanone (CID 69491067) is [1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[3-(fluoromethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[3-(fluoromethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[3-(fluoromethyl)piperazin-1-yl]methanone is COc1cccc2c(C(=O)N3CCNC(CF)C3)cn(CC3CCCCC3)c12.
What is the InChIKey of [1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[3-(fluoromethyl)piperazin-1-yl]methanone?
The InChIKey is DHFLOPNNDHZSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O2/c1-28-20-9-5-8-18-19(22(27)25-11-10-24-17(12-23)14-25)15-26(21(18)20)13-16-6-3-2-4-7-16/h5,8-9,15-17,24H,2-4,6-7,10-14H2,1H3.
What are the key properties of [1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[3-(fluoromethyl)piperazin-1-yl]methanone?
[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[3-(fluoromethyl)piperazin-1-yl]methanone has a molecular weight of 387.50 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[3-(fluoromethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 69491067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).