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

C18H24N4O2 — CID 90164454

IUPAC4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]benzamide
SMILESCc1nc(-c2ccc(C(=O)N[C@H](C)CN3CCCCC3)cc2)no1
InChIInChI=1S/C18H24N4O2/c1-13(12-22-10-4-3-5-11-22)19-18(23)16-8-6-15(7-9-16)17-20-14(2)24-21-17/h6-9,13H,3-5,10-12H2,1-2H3,(H,19,23)/t13-/m1/s1
InChIKeySPRKLHGMXDTECJ-CYBMUJFWSA-N
MW328.42 g/mol
LogP2.65
Rot. Bonds5

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

4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]benzamide (PubChem CID 90164454) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]benzamide
PubChem CID90164454
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]benzamide
SMILESCc1nc(-c2ccc(C(=O)N[C@H](C)CN3CCCCC3)cc2)no1
InChIInChI=1S/C18H24N4O2/c1-13(12-22-10-4-3-5-11-22)19-18(23)16-8-6-15(7-9-16)17-20-14(2)24-21-17/h6-9,13H,3-5,10-12H2,1-2H3,(H,19,23)/t13-/m1/s1
InChIKeySPRKLHGMXDTECJ-CYBMUJFWSA-N
XLogP2.65
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-[(3S)-3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 122675692
N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 171631075
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-piperidin-1-ylmethanone
CID 53004915
N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 112841502
(2S)-2-cyclopropylpropanoic acid;1-[(2S)-2-cyclopropylpropyl]pyrrolidine;(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethanamine;N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;(2S)-2-cyclopropyl-1-pyrrolidin-1-ylpropan-1-one;sulfane
CID 158347398
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53015117
4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 63213435
N-[1-[(5R)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 122669521
N-[1-(3-azabicyclo[3.2.1]octan-3-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 122669523
6-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 66464130
6-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 55041432
5-methyl-3-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2,4-oxadiazole
CID 11681282

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]benzamide?
The IUPAC name of 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]benzamide (CID 90164454) is 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]benzamide.
What is the SMILES notation for 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]benzamide?
The canonical SMILES for 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]benzamide is Cc1nc(-c2ccc(C(=O)N[C@H](C)CN3CCCCC3)cc2)no1.
What is the InChIKey of 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]benzamide?
The InChIKey is SPRKLHGMXDTECJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(12-22-10-4-3-5-11-22)19-18(23)16-8-6-15(7-9-16)17-20-14(2)24-21-17/h6-9,13H,3-5,10-12H2,1-2H3,(H,19,23)/t13-/m1/s1.
What are the key properties of 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]benzamide?
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]benzamide has a molecular weight of 328.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]benzamide is sourced from PubChem (CID 90164454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).