N-(2-methoxyethyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide

C22H29N5O3 — CID 46385237

IUPACN-(2-methoxyethyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
SMILESCOCCNC(=O)Cn1cc(-c2nnc(CN3CCC(C)CC3)o2)c2ccccc21
InChIInChI=1S/C22H29N5O3/c1-16-7-10-26(11-8-16)15-21-24-25-22(30-21)18-13-27(14-20(28)23-9-12-29-2)19-6-4-3-5-17(18)19/h3-6,13,16H,7-12,14-15H2,1-2H3,(H,23,28)
InChIKeyXLCPZDMAGXWCMF-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.69
Rot. Bonds8

About N-(2-methoxyethyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide

N-(2-methoxyethyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide (PubChem CID 46385237) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
PubChem CID46385237
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC NameN-(2-methoxyethyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
SMILESCOCCNC(=O)Cn1cc(-c2nnc(CN3CCC(C)CC3)o2)c2ccccc21
InChIInChI=1S/C22H29N5O3/c1-16-7-10-26(11-8-16)15-21-24-25-22(30-21)18-13-27(14-20(28)23-9-12-29-2)19-6-4-3-5-17(18)19/h3-6,13,16H,7-12,14-15H2,1-2H3,(H,23,28)
InChIKeyXLCPZDMAGXWCMF-UHFFFAOYSA-N
XLogP2.69
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385248
N-[(4-methylphenyl)methyl]-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385224
N-[(2-ethoxyphenyl)methyl]-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 50827539
N-(4-methoxyphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385209
N-(2-fluorophenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385218
N-(2,5-dimethylphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385229
N-ethyl-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385202
methyl 2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetate
CID 46257811
N-cyclopropyl-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 53027959
1-morpholin-4-yl-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]ethanone
CID 46385196
N-[(2S)-butan-2-yl]-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 93058091
2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 53027972

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide (CID 46385237) is N-(2-methoxyethyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide is COCCNC(=O)Cn1cc(-c2nnc(CN3CCC(C)CC3)o2)c2ccccc21.
What is the InChIKey of N-(2-methoxyethyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?
The InChIKey is XLCPZDMAGXWCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-16-7-10-26(11-8-16)15-21-24-25-22(30-21)18-13-27(14-20(28)23-9-12-29-2)19-6-4-3-5-17(18)19/h3-6,13,16H,7-12,14-15H2,1-2H3,(H,23,28).
What are the key properties of N-(2-methoxyethyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?
N-(2-methoxyethyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide has a molecular weight of 411.51 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide is sourced from PubChem (CID 46385237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).