5-[1-(1-cyclohexylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-methyl-1H-indole

C33H45N3O2 — CID 134230502

IUPAC5-[1-(1-cyclohexylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-methyl-1H-indole
SMILESCOc1ccc(-c2[nH]c3ccc(C4CCN(C5CCN(C6CCCCC6)CC5)CC4)cc3c2C)cc1OC
InChIInChI=1S/C33H45N3O2/c1-23-29-21-25(9-11-30(29)34-33(23)26-10-12-31(37-2)32(22-26)38-3)24-13-17-35(18-14-24)28-15-19-36(20-16-28)27-7-5-4-6-8-27/h9-12,21-22,24,27-28,34H,4-8,13-20H2,1-3H3
InChIKeyARODASQFLRJWHZ-UHFFFAOYSA-N
MW515.74 g/mol
LogP7.14
Rot. Bonds6

About 5-[1-(1-cyclohexylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-methyl-1H-indole

5-[1-(1-cyclohexylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-methyl-1H-indole (PubChem CID 134230502) has the molecular formula C33H45N3O2 and a molecular weight of 515.74 g/mol. Its IUPAC name is 5-[1-(1-cyclohexylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-methyl-1H-indole.

Molecular Properties

Compound Name5-[1-(1-cyclohexylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-methyl-1H-indole
PubChem CID134230502
Molecular FormulaC33H45N3O2
Molecular Weight515.74 g/mol
Exact Mass515.35
IUPAC Name5-[1-(1-cyclohexylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-methyl-1H-indole
SMILESCOc1ccc(-c2[nH]c3ccc(C4CCN(C5CCN(C6CCCCC6)CC5)CC4)cc3c2C)cc1OC
InChIInChI=1S/C33H45N3O2/c1-23-29-21-25(9-11-30(29)34-33(23)26-10-12-31(37-2)32(22-26)38-3)24-13-17-35(18-14-24)28-15-19-36(20-16-28)27-7-5-4-6-8-27/h9-12,21-22,24,27-28,34H,4-8,13-20H2,1-3H3
InChIKeyARODASQFLRJWHZ-UHFFFAOYSA-N
XLogP7.14
TPSA40.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.74
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[1-(1-cyclohexylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-methyl-1H-indole with MolForge

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Related Compounds

2-(3,4-dimethoxyphenyl)-5-[1-[1-(5-methoxypentyl)piperidin-4-yl]piperidin-4-yl]-3-methyl-1H-indole
CID 142283581
3-[4-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]piperidin-1-yl]propane-1,2-diol
CID 134230543
ethyl 3-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]pyrrolidine-1-carboxylate
CID 134230876
2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-indole
CID 134230324
1-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-2-(ethylamino)ethanone
CID 134230221
2-(3,4-dimethoxyphenyl)-3-ethyl-5-[1-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-indole
CID 134230262
2-[4-[2-(3-fluoro-4-methoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
CID 58730850
1-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-2-(ethylamino)ethanone;2,2,2-trifluoroacetic acid
CID 134231025
5-[1-(2-chloropiperidin-1-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole
CID 175223781
2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole
CID 134230741
5-(1-cyclohexylpiperidin-4-yl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
CID 161065761
2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole;hydrochloride
CID 134231013

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-cyclohexylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-methyl-1H-indole?
The IUPAC name of 5-[1-(1-cyclohexylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-methyl-1H-indole (CID 134230502) is 5-[1-(1-cyclohexylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-methyl-1H-indole.
What is the SMILES notation for 5-[1-(1-cyclohexylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-methyl-1H-indole?
The canonical SMILES for 5-[1-(1-cyclohexylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-methyl-1H-indole is COc1ccc(-c2[nH]c3ccc(C4CCN(C5CCN(C6CCCCC6)CC5)CC4)cc3c2C)cc1OC.
What is the InChIKey of 5-[1-(1-cyclohexylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-methyl-1H-indole?
The InChIKey is ARODASQFLRJWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45N3O2/c1-23-29-21-25(9-11-30(29)34-33(23)26-10-12-31(37-2)32(22-26)38-3)24-13-17-35(18-14-24)28-15-19-36(20-16-28)27-7-5-4-6-8-27/h9-12,21-22,24,27-28,34H,4-8,13-20H2,1-3H3.
What are the key properties of 5-[1-(1-cyclohexylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-methyl-1H-indole?
5-[1-(1-cyclohexylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-methyl-1H-indole has a molecular weight of 515.74 g/mol, XLogP of 7.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-cyclohexylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-methyl-1H-indole is sourced from PubChem (CID 134230502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).