4-[(3R)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one

C20H21N5O3 — CID 136803023

IUPAC4-[(3R)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESO=C(CCc1nc(-c2ccccc2)no1)N1CCC[C@@H](c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C20H21N5O3/c26-17-11-16(21-13-22-17)15-7-4-10-25(12-15)19(27)9-8-18-23-20(24-28-18)14-5-2-1-3-6-14/h1-3,5-6,11,13,15H,4,7-10,12H2,(H,21,22,26)/t15-/m1/s1
InChIKeyORDVMFRHZFYBMF-OAHLLOKOSA-N
MW379.42 g/mol
LogP2.16
Rot. Bonds5

About 4-[(3R)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one

4-[(3R)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136803023) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-[(3R)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3R)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136803023
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name4-[(3R)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESO=C(CCc1nc(-c2ccccc2)no1)N1CCC[C@@H](c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C20H21N5O3/c26-17-11-16(21-13-22-17)15-7-4-10-25(12-15)19(27)9-8-18-23-20(24-28-18)14-5-2-1-3-6-14/h1-3,5-6,11,13,15H,4,7-10,12H2,(H,21,22,26)/t15-/m1/s1
InChIKeyORDVMFRHZFYBMF-OAHLLOKOSA-N
XLogP2.16
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one
CID 146074103
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 9225619
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CID 70763009
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CID 119065733
(3S)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide
CID 94176966
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CID 51092103
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 3593646
1-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 70723994
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-[3-(hydroxymethyl)piperidin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3R)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one (CID 136803023) is 4-[(3R)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3R)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3R)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one is O=C(CCc1nc(-c2ccccc2)no1)N1CCC[C@@H](c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-[(3R)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is ORDVMFRHZFYBMF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21N5O3/c26-17-11-16(21-13-22-17)15-7-4-10-25(12-15)19(27)9-8-18-23-20(24-28-18)14-5-2-1-3-6-14/h1-3,5-6,11,13,15H,4,7-10,12H2,(H,21,22,26)/t15-/m1/s1.
What are the key properties of 4-[(3R)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one?
4-[(3R)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 379.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136803023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).