2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide

C21H29N5O3 — CID 136577935

IUPAC2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCc1noc(C2CCN(CC(=O)Nc3ccccc3C(=O)NCC(C)C)CC2)n1
InChIInChI=1S/C21H29N5O3/c1-14(2)12-22-20(28)17-6-4-5-7-18(17)24-19(27)13-26-10-8-16(9-11-26)21-23-15(3)25-29-21/h4-7,14,16H,8-13H2,1-3H3,(H,22,28)(H,24,27)
InChIKeyTZRMUMUFWNGXAK-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.58
Rot. Bonds7

About 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide

2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 136577935) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID136577935
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCc1noc(C2CCN(CC(=O)Nc3ccccc3C(=O)NCC(C)C)CC2)n1
InChIInChI=1S/C21H29N5O3/c1-14(2)12-22-20(28)17-6-4-5-7-18(17)24-19(27)13-26-10-8-16(9-11-26)21-23-15(3)25-29-21/h4-7,14,16H,8-13H2,1-3H3,(H,22,28)(H,24,27)
InChIKeyTZRMUMUFWNGXAK-UHFFFAOYSA-N
XLogP2.58
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 50835840
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CID 90641413
CID 90641413
CID 16022719
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CID 16022727
CID 16022727
CID 16022757
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CID 30850222
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CID 32141858
CID 32141858

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide (CID 136577935) is 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide is Cc1noc(C2CCN(CC(=O)Nc3ccccc3C(=O)NCC(C)C)CC2)n1.
What is the InChIKey of 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is TZRMUMUFWNGXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-14(2)12-22-20(28)17-6-4-5-7-18(17)24-19(27)13-26-10-8-16(9-11-26)21-23-15(3)25-29-21/h4-7,14,16H,8-13H2,1-3H3,(H,22,28)(H,24,27).
What are the key properties of 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide?
2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 399.50 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 136577935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).