4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide

C19H26N4O2 — CID 42595681

IUPAC4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N(CCc1ccccc1)CC1CCN(C)CC1
InChIInChI=1S/C19H26N4O2/c1-15-18(21-25-20-15)19(24)23(13-10-16-6-4-3-5-7-16)14-17-8-11-22(2)12-9-17/h3-7,17H,8-14H2,1-2H3
InChIKeyGOTJLBLEYNKMGO-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.40
Rot. Bonds6

About 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide

4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 42595681) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID42595681
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N(CCc1ccccc1)CC1CCN(C)CC1
InChIInChI=1S/C19H26N4O2/c1-15-18(21-25-20-15)19(24)23(13-10-16-6-4-3-5-7-16)14-17-8-11-22(2)12-9-17/h3-7,17H,8-14H2,1-2H3
InChIKeyGOTJLBLEYNKMGO-UHFFFAOYSA-N
XLogP2.40
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide (CID 42595681) is 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)N(CCc1ccccc1)CC1CCN(C)CC1.
What is the InChIKey of 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is GOTJLBLEYNKMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15-18(21-25-20-15)19(24)23(13-10-16-6-4-3-5-7-16)14-17-8-11-22(2)12-9-17/h3-7,17H,8-14H2,1-2H3.
What are the key properties of 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide?
4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 42595681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).