N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C24H27N5O3 — CID 86934242

IUPACN-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1ccc(N(CC(=O)N2CCCCC2)C(=O)CCc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C24H27N5O3/c1-18-8-10-19(11-9-18)29(17-23(31)28-15-5-2-6-16-28)22(30)13-12-21-26-24(27-32-21)20-7-3-4-14-25-20/h3-4,7-11,14H,2,5-6,12-13,15-17H2,1H3
InChIKeyXDFNWURWMGXWMK-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.42
Rot. Bonds7

About N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 86934242) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID86934242
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1ccc(N(CC(=O)N2CCCCC2)C(=O)CCc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C24H27N5O3/c1-18-8-10-19(11-9-18)29(17-23(31)28-15-5-2-6-16-28)22(30)13-12-21-26-24(27-32-21)20-7-3-4-14-25-20/h3-4,7-11,14H,2,5-6,12-13,15-17H2,1H3
InChIKeyXDFNWURWMGXWMK-UHFFFAOYSA-N
XLogP3.42
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylpiperazin-4-ium-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 6931138
N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide
CID 86934220
N,N-dipropyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78869082
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 119436794
1-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 95590074
1-(azepan-1-yl)-3-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 70707902
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 87018941
N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 92607961
N-(4-piperidin-1-ylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78867689
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 3747520
1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 51590636
1-(2-methylpiperazin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride
CID 119472580

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 86934242) is N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is Cc1ccc(N(CC(=O)N2CCCCC2)C(=O)CCc2nc(-c3ccccn3)no2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is XDFNWURWMGXWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-18-8-10-19(11-9-18)29(17-23(31)28-15-5-2-6-16-28)22(30)13-12-21-26-24(27-32-21)20-7-3-4-14-25-20/h3-4,7-11,14H,2,5-6,12-13,15-17H2,1H3.
What are the key properties of N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 433.51 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 86934242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).