N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

C16H20N4O3 — CID 70763611

IUPACN-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)N[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C16H20N4O3/c21-13-10-17-9-8-12(13)18-14(22)6-7-15-19-16(20-23-15)11-4-2-1-3-5-11/h1-5,12-13,17,21H,6-10H2,(H,18,22)/t12-,13-/m1/s1
InChIKeyPAASIMUDYVYXEC-CHWSQXEVSA-N
MW316.36 g/mol
LogP0.51
Rot. Bonds5

About N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 70763611) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID70763611
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)N[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C16H20N4O3/c21-13-10-17-9-8-12(13)18-14(22)6-7-15-19-16(20-23-15)11-4-2-1-3-5-11/h1-5,12-13,17,21H,6-10H2,(H,18,22)/t12-,13-/m1/s1
InChIKeyPAASIMUDYVYXEC-CHWSQXEVSA-N
XLogP0.51
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 75403364
N-piperidin-3-yl-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119425634
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-3-ylpropanamide
CID 119425088
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide
CID 119386389
N-piperidin-3-yl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119425726
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9159599
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9159591
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 28689919
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100762131
ethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate
CID 31369329
N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9192496
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (CID 70763611) is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccccc2)no1)N[C@@H]1CCNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is PAASIMUDYVYXEC-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-13-10-17-9-8-12(13)18-14(22)6-7-15-19-16(20-23-15)11-4-2-1-3-5-11/h1-5,12-13,17,21H,6-10H2,(H,18,22)/t12-,13-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 316.36 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 70763611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).