N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-(piperidin-4-ylmethyl)benzamide

C20H26N4O2 — CID 56910106

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-(piperidin-4-ylmethyl)benzamide
SMILESCN(Cc1nc(C2CC2)no1)C(=O)c1cccc(CC2CCNCC2)c1
InChIInChI=1S/C20H26N4O2/c1-24(13-18-22-19(23-26-18)16-5-6-16)20(25)17-4-2-3-15(12-17)11-14-7-9-21-10-8-14/h2-4,12,14,16,21H,5-11,13H2,1H3
InChIKeyQWMIXFPBHMXXFR-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.76
Rot. Bonds6

About N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-(piperidin-4-ylmethyl)benzamide

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-(piperidin-4-ylmethyl)benzamide (PubChem CID 56910106) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-(piperidin-4-ylmethyl)benzamide
PubChem CID56910106
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-(piperidin-4-ylmethyl)benzamide
SMILESCN(Cc1nc(C2CC2)no1)C(=O)c1cccc(CC2CCNCC2)c1
InChIInChI=1S/C20H26N4O2/c1-24(13-18-22-19(23-26-18)16-5-6-16)20(25)17-4-2-3-15(12-17)11-14-7-9-21-10-8-14/h2-4,12,14,16,21H,5-11,13H2,1H3
InChIKeyQWMIXFPBHMXXFR-UHFFFAOYSA-N
XLogP2.76
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-(piperidin-4-ylmethyl)benzamide (CID 56910106) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-(piperidin-4-ylmethyl)benzamide is CN(Cc1nc(C2CC2)no1)C(=O)c1cccc(CC2CCNCC2)c1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-(piperidin-4-ylmethyl)benzamide?
The InChIKey is QWMIXFPBHMXXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-24(13-18-22-19(23-26-18)16-5-6-16)20(25)17-4-2-3-15(12-17)11-14-7-9-21-10-8-14/h2-4,12,14,16,21H,5-11,13H2,1H3.
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-(piperidin-4-ylmethyl)benzamide?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-(piperidin-4-ylmethyl)benzamide has a molecular weight of 354.45 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 56910106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).