4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide

C22H33N5O2 — CID 55747104

IUPAC4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
SMILESCC1CCN(c2ccc(CNC(=O)CCCc3nc(C(C)(C)C)no3)cn2)CC1
InChIInChI=1S/C22H33N5O2/c1-16-10-12-27(13-11-16)18-9-8-17(14-23-18)15-24-19(28)6-5-7-20-25-21(26-29-20)22(2,3)4/h8-9,14,16H,5-7,10-13,15H2,1-4H3,(H,24,28)
InChIKeyRDVWQUSCPGLCQZ-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.64
Rot. Bonds7

About 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide (PubChem CID 55747104) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide.

Molecular Properties

Compound Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
PubChem CID55747104
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
SMILESCC1CCN(c2ccc(CNC(=O)CCCc3nc(C(C)(C)C)no3)cn2)CC1
InChIInChI=1S/C22H33N5O2/c1-16-10-12-27(13-11-16)18-9-8-17(14-23-18)15-24-19(28)6-5-7-20-25-21(26-29-20)22(2,3)4/h8-9,14,16H,5-7,10-13,15H2,1-4H3,(H,24,28)
InChIKeyRDVWQUSCPGLCQZ-UHFFFAOYSA-N
XLogP3.64
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one
CID 39917974
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide
CID 46456355
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
CID 55746729
2-[(1R)-cyclopent-2-en-1-yl]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 94783206
4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
CID 120595263
2-cyclopent-2-en-1-yl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 47043291
2-(3,4-dimethylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 55746761
1-(4-hydroxy-2,2-dimethylbutyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea
CID 111504532
1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
CID 55739819
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 99817715
2-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55749921
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55710020

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide?
The IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide (CID 55747104) is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide.
What is the SMILES notation for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide?
The canonical SMILES for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide is CC1CCN(c2ccc(CNC(=O)CCCc3nc(C(C)(C)C)no3)cn2)CC1.
What is the InChIKey of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide?
The InChIKey is RDVWQUSCPGLCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-16-10-12-27(13-11-16)18-9-8-17(14-23-18)15-24-19(28)6-5-7-20-25-21(26-29-20)22(2,3)4/h8-9,14,16H,5-7,10-13,15H2,1-4H3,(H,24,28).
What are the key properties of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide?
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide has a molecular weight of 399.54 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide is sourced from PubChem (CID 55747104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).