N-methyl-2-[4-[3-methyl-2-(2-propan-2-yloxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine

C26H35N3O — CID 58730842

IUPACN-methyl-2-[4-[3-methyl-2-(2-propan-2-yloxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine
SMILESCNCCN1CCC(c2ccc3[nH]c(-c4ccccc4OC(C)C)c(C)c3c2)CC1
InChIInChI=1S/C26H35N3O/c1-18(2)30-25-8-6-5-7-22(25)26-19(3)23-17-21(9-10-24(23)28-26)20-11-14-29(15-12-20)16-13-27-4/h5-10,17-18,20,27-28H,11-16H2,1-4H3
InChIKeyCHVOWPIDUUHYMD-UHFFFAOYSA-N
MW405.59 g/mol
LogP5.33
Rot. Bonds7

About N-methyl-2-[4-[3-methyl-2-(2-propan-2-yloxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine

N-methyl-2-[4-[3-methyl-2-(2-propan-2-yloxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine (PubChem CID 58730842) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is N-methyl-2-[4-[3-methyl-2-(2-propan-2-yloxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-[3-methyl-2-(2-propan-2-yloxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine
PubChem CID58730842
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC NameN-methyl-2-[4-[3-methyl-2-(2-propan-2-yloxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine
SMILESCNCCN1CCC(c2ccc3[nH]c(-c4ccccc4OC(C)C)c(C)c3c2)CC1
InChIInChI=1S/C26H35N3O/c1-18(2)30-25-8-6-5-7-22(25)26-19(3)23-17-21(9-10-24(23)28-26)20-11-14-29(15-12-20)16-13-27-4/h5-10,17-18,20,27-28H,11-16H2,1-4H3
InChIKeyCHVOWPIDUUHYMD-UHFFFAOYSA-N
XLogP5.33
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[4-[3-methyl-2-(2-phenylmethoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 58730804
2-[4-[2-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
CID 58730788
2-[4-[2-(2,5-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
CID 58730857
2-[4-[2-(3-fluoro-4-methoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
CID 58730850
N-methyl-2-[4-[3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 134329284
N-[4-fluoro-2-[3-fluoro-5-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-indol-2-yl]phenyl]methanesulfonamide
CID 58730856
N-methyl-2-[4-[7-methyl-2-[2-(trifluoromethoxy)phenyl]-3H-benzimidazol-5-yl]piperidin-1-yl]ethanamine
CID 58730838
2-[4-[2-(5-methoxy-1,4-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
CID 137464431
N-methyl-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]aniline
CID 145463368
1-[2-[4-[2-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethoxy]-N-methylmethanamine
CID 146258284
2-[4-(3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine
CID 58730699
2-(2,6-dimethyl-4-pyridinyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329839

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[3-methyl-2-(2-propan-2-yloxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine?
The IUPAC name of N-methyl-2-[4-[3-methyl-2-(2-propan-2-yloxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine (CID 58730842) is N-methyl-2-[4-[3-methyl-2-(2-propan-2-yloxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-[3-methyl-2-(2-propan-2-yloxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine?
The canonical SMILES for N-methyl-2-[4-[3-methyl-2-(2-propan-2-yloxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine is CNCCN1CCC(c2ccc3[nH]c(-c4ccccc4OC(C)C)c(C)c3c2)CC1.
What is the InChIKey of N-methyl-2-[4-[3-methyl-2-(2-propan-2-yloxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine?
The InChIKey is CHVOWPIDUUHYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O/c1-18(2)30-25-8-6-5-7-22(25)26-19(3)23-17-21(9-10-24(23)28-26)20-11-14-29(15-12-20)16-13-27-4/h5-10,17-18,20,27-28H,11-16H2,1-4H3.
What are the key properties of N-methyl-2-[4-[3-methyl-2-(2-propan-2-yloxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine?
N-methyl-2-[4-[3-methyl-2-(2-propan-2-yloxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine has a molecular weight of 405.59 g/mol, XLogP of 5.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[3-methyl-2-(2-propan-2-yloxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine is sourced from PubChem (CID 58730842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).