2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]-N-[(3R)-piperidin-3-yl]acetamide

C26H33N3O4 — CID 138688906

IUPAC2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]-N-[(3R)-piperidin-3-yl]acetamide
SMILESCOc1ccc(-c2[nH]c3ccc(OCC(=O)N[C@@H]4CCCNC4)cc3c2C(C)C)cc1OC
InChIInChI=1S/C26H33N3O4/c1-16(2)25-20-13-19(33-15-24(30)28-18-6-5-11-27-14-18)8-9-21(20)29-26(25)17-7-10-22(31-3)23(12-17)32-4/h7-10,12-13,16,18,27,29H,5-6,11,14-15H2,1-4H3,(H,28,30)/t18-/m1/s1
InChIKeyCXSAJGJECOGOFC-GOSISDBHSA-N
MW451.57 g/mol
LogP4.22
Rot. Bonds8

About 2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]-N-[(3R)-piperidin-3-yl]acetamide

2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]-N-[(3R)-piperidin-3-yl]acetamide (PubChem CID 138688906) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]-N-[(3R)-piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]-N-[(3R)-piperidin-3-yl]acetamide
PubChem CID138688906
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Name2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]-N-[(3R)-piperidin-3-yl]acetamide
SMILESCOc1ccc(-c2[nH]c3ccc(OCC(=O)N[C@@H]4CCCNC4)cc3c2C(C)C)cc1OC
InChIInChI=1S/C26H33N3O4/c1-16(2)25-20-13-19(33-15-24(30)28-18-6-5-11-27-14-18)8-9-21(20)29-26(25)17-7-10-22(31-3)23(12-17)32-4/h7-10,12-13,16,18,27,29H,5-6,11,14-15H2,1-4H3,(H,28,30)/t18-/m1/s1
InChIKeyCXSAJGJECOGOFC-GOSISDBHSA-N
XLogP4.22
TPSA84.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]pyrrolidine-3-carboxamide
CID 151232986
N-[(2R,3R)-2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]pyrrolidin-3-yl]acetamide
CID 156628620
methyl 2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indole-5-carboxylate
CID 154640119
2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-piperidin-3-ylpropanamide
CID 155210906
4-[2-oxo-2-(piperidin-3-ylamino)ethoxy]benzamide
CID 119426792
2-(4-tert-butylphenoxy)-N-piperidin-3-ylacetamide
CID 119428082
2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-indole
CID 134230324
2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94803257
1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
CID 154639333
4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-2-one
CID 134230320
4-amino-1-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-1-one
CID 134230298
3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-piperidin-3-ylbenzamide
CID 119425199

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]-N-[(3R)-piperidin-3-yl]acetamide?
The IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]-N-[(3R)-piperidin-3-yl]acetamide (CID 138688906) is 2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]-N-[(3R)-piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]-N-[(3R)-piperidin-3-yl]acetamide?
The canonical SMILES for 2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]-N-[(3R)-piperidin-3-yl]acetamide is COc1ccc(-c2[nH]c3ccc(OCC(=O)N[C@@H]4CCCNC4)cc3c2C(C)C)cc1OC.
What is the InChIKey of 2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]-N-[(3R)-piperidin-3-yl]acetamide?
The InChIKey is CXSAJGJECOGOFC-GOSISDBHSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-16(2)25-20-13-19(33-15-24(30)28-18-6-5-11-27-14-18)8-9-21(20)29-26(25)17-7-10-22(31-3)23(12-17)32-4/h7-10,12-13,16,18,27,29H,5-6,11,14-15H2,1-4H3,(H,28,30)/t18-/m1/s1.
What are the key properties of 2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]-N-[(3R)-piperidin-3-yl]acetamide?
2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]-N-[(3R)-piperidin-3-yl]acetamide has a molecular weight of 451.57 g/mol, XLogP of 4.22, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]-N-[(3R)-piperidin-3-yl]acetamide is sourced from PubChem (CID 138688906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).