N-(4-acetylphenyl)-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide

C23H25N5O3 — CID 56527041

IUPACN-(4-acetylphenyl)-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCN2CCC(c3nc(-c4ccccn4)no3)CC2)cc1
InChIInChI=1S/C23H25N5O3/c1-16(29)17-5-7-19(8-6-17)25-21(30)11-15-28-13-9-18(10-14-28)23-26-22(27-31-23)20-4-2-3-12-24-20/h2-8,12,18H,9-11,13-15H2,1H3,(H,25,30)
InChIKeyDATUCUKZFVDYHI-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.54
Rot. Bonds7

About N-(4-acetylphenyl)-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide

N-(4-acetylphenyl)-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide (PubChem CID 56527041) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
PubChem CID56527041
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-(4-acetylphenyl)-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCN2CCC(c3nc(-c4ccccn4)no3)CC2)cc1
InChIInChI=1S/C23H25N5O3/c1-16(29)17-5-7-19(8-6-17)25-21(30)11-15-28-13-9-18(10-14-28)23-26-22(27-31-23)20-4-2-3-12-24-20/h2-8,12,18H,9-11,13-15H2,1H3,(H,25,30)
InChIKeyDATUCUKZFVDYHI-UHFFFAOYSA-N
XLogP3.54
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(propanoylamino)phenyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 56555158
N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
CID 57392511
N-(4-acetylphenyl)-3-(4-benzoylpiperidin-1-yl)propanamide
CID 33215029
2-(methylamino)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone;hydrochloride
CID 120704250
N-(4-acetylphenyl)-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53152337
4-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzoic acid
CID 167763221
(2R)-2-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 119870841
3-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119870857
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-phenyl-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 167839568
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
N-(4-acetylphenyl)-3-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanamide
CID 31932540

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide (CID 56527041) is N-(4-acetylphenyl)-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide is CC(=O)c1ccc(NC(=O)CCN2CCC(c3nc(-c4ccccn4)no3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The InChIKey is DATUCUKZFVDYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-16(29)17-5-7-19(8-6-17)25-21(30)11-15-28-13-9-18(10-14-28)23-26-22(27-31-23)20-4-2-3-12-24-20/h2-8,12,18H,9-11,13-15H2,1H3,(H,25,30).
What are the key properties of N-(4-acetylphenyl)-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
N-(4-acetylphenyl)-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide has a molecular weight of 419.49 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 56527041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).