N-[4-(propanoylamino)phenyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C22H24N6O3 — CID 56555158

IUPACN-[4-(propanoylamino)phenyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)cc1
InChIInChI=1S/C22H24N6O3/c1-2-19(29)24-16-6-8-17(9-7-16)25-22(30)28-13-10-15(11-14-28)21-26-20(27-31-21)18-5-3-4-12-23-18/h3-9,12,15H,2,10-11,13-14H2,1H3,(H,24,29)(H,25,30)
InChIKeyMBCFLYNHVPXLRL-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.89
Rot. Bonds5

About N-[4-(propanoylamino)phenyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-[4-(propanoylamino)phenyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 56555158) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[4-(propanoylamino)phenyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(propanoylamino)phenyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID56555158
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC NameN-[4-(propanoylamino)phenyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)cc1
InChIInChI=1S/C22H24N6O3/c1-2-19(29)24-16-6-8-17(9-7-16)25-22(30)28-13-10-15(11-14-28)21-26-20(27-31-21)18-5-3-4-12-23-18/h3-9,12,15H,2,10-11,13-14H2,1H3,(H,24,29)(H,25,30)
InChIKeyMBCFLYNHVPXLRL-UHFFFAOYSA-N
XLogP3.89
TPSA113.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 56554967
N-(4-acetylphenyl)-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
CID 56527041
N-phenyl-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 167839568
2-(methylamino)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone;hydrochloride
CID 120704250
4-[[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024882
(2R)-2-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 119870841
4-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzoic acid
CID 167763221
3-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119870857
pyridin-2-yl-[(3R)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92577676
2-cyclopentyl-1-[(3R)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92577668
3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503538
2-azido-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 24802761

Frequently Asked Questions

What is the IUPAC name of N-[4-(propanoylamino)phenyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[4-(propanoylamino)phenyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 56555158) is N-[4-(propanoylamino)phenyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(propanoylamino)phenyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[4-(propanoylamino)phenyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is CCC(=O)Nc1ccc(NC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)cc1.
What is the InChIKey of N-[4-(propanoylamino)phenyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is MBCFLYNHVPXLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-2-19(29)24-16-6-8-17(9-7-16)25-22(30)28-13-10-15(11-14-28)21-26-20(27-31-21)18-5-3-4-12-23-18/h3-9,12,15H,2,10-11,13-14H2,1H3,(H,24,29)(H,25,30).
What are the key properties of N-[4-(propanoylamino)phenyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-[4-(propanoylamino)phenyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propanoylamino)phenyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 56555158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).