2-[4-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]oxy]piperidin-1-yl]-N-methylacetamide

C26H34N4O3 — CID 138688605

IUPAC2-[4-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]oxy]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(Oc2ccc3[nH]c(-c4cc(C)c(=O)n(C)c4)c(C(C)C)c3c2)CC1
InChIInChI=1S/C26H34N4O3/c1-16(2)24-21-13-20(33-19-8-10-30(11-9-19)15-23(31)27-4)6-7-22(21)28-25(24)18-12-17(3)26(32)29(5)14-18/h6-7,12-14,16,19,28H,8-11,15H2,1-5H3,(H,27,31)
InChIKeyIIERWQBTSOEFCA-UHFFFAOYSA-N
MW450.58 g/mol
LogP3.55
Rot. Bonds6

About 2-[4-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]oxy]piperidin-1-yl]-N-methylacetamide

2-[4-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]oxy]piperidin-1-yl]-N-methylacetamide (PubChem CID 138688605) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 2-[4-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]oxy]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]oxy]piperidin-1-yl]-N-methylacetamide
PubChem CID138688605
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name2-[4-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]oxy]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(Oc2ccc3[nH]c(-c4cc(C)c(=O)n(C)c4)c(C(C)C)c3c2)CC1
InChIInChI=1S/C26H34N4O3/c1-16(2)24-21-13-20(33-19-8-10-30(11-9-19)15-23(31)27-4)6-7-22(21)28-25(24)18-12-17(3)26(32)29(5)14-18/h6-7,12-14,16,19,28H,8-11,15H2,1-5H3,(H,27,31)
InChIKeyIIERWQBTSOEFCA-UHFFFAOYSA-N
XLogP3.55
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[4-[[3-propan-2-yl-2-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-1H-indol-5-yl]oxy]piperidin-1-yl]acetamide
CID 138689030
5-[5-[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,3-dimethylpyridin-2-one
CID 137464654
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
1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one
CID 137464445
2-methyl-1-[4-[[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]oxy]piperidin-1-yl]propan-2-ol
CID 138688584
N-methyl-2-[4-[2-(8-methylquinoxalin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594665
N-(2-hydroxyethyl)-N-methyl-2-[8-methyl-6-[5-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 155796975
2-[4-[2-[5-(methoxymethyl)-1-methyl-6-oxo-3-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 137464472
2-[4-[2-(2-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
CID 134329798
N-methyl-2-[4-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594622
2-[4-[2-[(2Z)-1-amino-2-(aminomethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
CID 142594328
2-[4-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]acetaldehyde
CID 166865328

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]oxy]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]oxy]piperidin-1-yl]-N-methylacetamide (CID 138688605) is 2-[4-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]oxy]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]oxy]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]oxy]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(Oc2ccc3[nH]c(-c4cc(C)c(=O)n(C)c4)c(C(C)C)c3c2)CC1.
What is the InChIKey of 2-[4-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]oxy]piperidin-1-yl]-N-methylacetamide?
The InChIKey is IIERWQBTSOEFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-16(2)24-21-13-20(33-19-8-10-30(11-9-19)15-23(31)27-4)6-7-22(21)28-25(24)18-12-17(3)26(32)29(5)14-18/h6-7,12-14,16,19,28H,8-11,15H2,1-5H3,(H,27,31).
What are the key properties of 2-[4-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]oxy]piperidin-1-yl]-N-methylacetamide?
2-[4-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]oxy]piperidin-1-yl]-N-methylacetamide has a molecular weight of 450.58 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]oxy]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 138688605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).