2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide

C25H29N3O2 — CID 86934178

IUPAC2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
SMILESCc1ccc(N(CC(=O)N2CCCCC2)C(=O)Cc2c[nH]c3cc(C)ccc23)cc1
InChIInChI=1S/C25H29N3O2/c1-18-6-9-21(10-7-18)28(17-25(30)27-12-4-3-5-13-27)24(29)15-20-16-26-23-14-19(2)8-11-22(20)23/h6-11,14,16,26H,3-5,12-13,15,17H2,1-2H3
InChIKeyZBUWJOULRVYOHN-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.37
Rot. Bonds5

About 2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide

2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide (PubChem CID 86934178) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
PubChem CID86934178
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
SMILESCc1ccc(N(CC(=O)N2CCCCC2)C(=O)Cc2c[nH]c3cc(C)ccc23)cc1
InChIInChI=1S/C25H29N3O2/c1-18-6-9-21(10-7-18)28(17-25(30)27-12-4-3-5-13-27)24(29)15-20-16-26-23-14-19(2)8-11-22(20)23/h6-11,14,16,26H,3-5,12-13,15,17H2,1-2H3
InChIKeyZBUWJOULRVYOHN-UHFFFAOYSA-N
XLogP4.37
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 33625
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Ilomastat
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3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
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Anamorelin
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Pralmorelin
CID 6918245
Macimorelin
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LY-517717
CID 9939865
Indole-3-acetamide
CID 397
(3s,6s,9s,12r)-6-[(1-Methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
CID 467801
FG-7142
CID 4375

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide (CID 86934178) is 2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide is Cc1ccc(N(CC(=O)N2CCCCC2)C(=O)Cc2c[nH]c3cc(C)ccc23)cc1.
What is the InChIKey of 2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The InChIKey is ZBUWJOULRVYOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-18-6-9-21(10-7-18)28(17-25(30)27-12-4-3-5-13-27)24(29)15-20-16-26-23-14-19(2)8-11-22(20)23/h6-11,14,16,26H,3-5,12-13,15,17H2,1-2H3.
What are the key properties of 2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide has a molecular weight of 403.53 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 86934178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).