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

C23H31N5O3 — CID 46385248

IUPACN-(3-methoxypropyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
SMILESCOCCCNC(=O)Cn1cc(-c2nnc(CN3CCC(C)CC3)o2)c2ccccc21
InChIInChI=1S/C23H31N5O3/c1-17-8-11-27(12-9-17)16-22-25-26-23(31-22)19-14-28(20-7-4-3-6-18(19)20)15-21(29)24-10-5-13-30-2/h3-4,6-7,14,17H,5,8-13,15-16H2,1-2H3,(H,24,29)
InChIKeyJNJYFCMUHNLAHG-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.08
Rot. Bonds9

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

N-(3-methoxypropyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide (PubChem CID 46385248) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
PubChem CID46385248
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC NameN-(3-methoxypropyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
SMILESCOCCCNC(=O)Cn1cc(-c2nnc(CN3CCC(C)CC3)o2)c2ccccc21
InChIInChI=1S/C23H31N5O3/c1-17-8-11-27(12-9-17)16-22-25-26-23(31-22)19-14-28(20-7-4-3-6-18(19)20)15-21(29)24-10-5-13-30-2/h3-4,6-7,14,17H,5,8-13,15-16H2,1-2H3,(H,24,29)
InChIKeyJNJYFCMUHNLAHG-UHFFFAOYSA-N
XLogP3.08
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.08
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-(2-methoxyethyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385237
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
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
2-[3-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propylacetamide
CID 53071580

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide (CID 46385248) is N-(3-methoxypropyl)-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-(3-methoxypropyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide is COCCCNC(=O)Cn1cc(-c2nnc(CN3CCC(C)CC3)o2)c2ccccc21.
What is the InChIKey of N-(3-methoxypropyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?
The InChIKey is JNJYFCMUHNLAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-17-8-11-27(12-9-17)16-22-25-26-23(31-22)19-14-28(20-7-4-3-6-18(19)20)15-21(29)24-10-5-13-30-2/h3-4,6-7,14,17H,5,8-13,15-16H2,1-2H3,(H,24,29).
What are the key properties of N-(3-methoxypropyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?
N-(3-methoxypropyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide has a molecular weight of 425.53 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide is sourced from PubChem (CID 46385248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).