(2S)-2-hydroxy-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one

C18H23N3O3 — CID 124737577

IUPAC(2S)-2-hydroxy-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESCc1nc(C[C@H]2CCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)no1
InChIInChI=1S/C18H23N3O3/c1-13-19-17(20-24-13)11-15-8-5-9-21(12-15)18(23)16(22)10-14-6-3-2-4-7-14/h2-4,6-7,15-16,22H,5,8-12H2,1H3/t15-,16+/m1/s1
InChIKeyPUEDRYVMBZEOAQ-CVEARBPZSA-N
MW329.40 g/mol
LogP1.76
Rot. Bonds5

About (2S)-2-hydroxy-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one

(2S)-2-hydroxy-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 124737577) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2S)-2-hydroxy-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-hydroxy-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID124737577
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(2S)-2-hydroxy-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESCc1nc(C[C@H]2CCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)no1
InChIInChI=1S/C18H23N3O3/c1-13-19-17(20-24-13)11-15-8-5-9-21(12-15)18(23)16(22)10-14-6-3-2-4-7-14/h2-4,6-7,15-16,22H,5,8-12H2,1H3/t15-,16+/m1/s1
InChIKeyPUEDRYVMBZEOAQ-CVEARBPZSA-N
XLogP1.76
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120591759
(2S)-2-amino-3,3-dimethyl-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 119775634
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide
CID 122130973
2-methyl-3-(methylamino)-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one;hydrochloride
CID 119775640
(2S)-2-amino-1-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one
CID 124594397
4-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pentan-1-one
CID 120562335
(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-prop-2-enylpiperidine-1-carboxamide
CID 97074173
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1-pyridin-4-ylpropyl)piperidine-1-carboxamide
CID 136529525
(3S)-N-(2-methoxy-6-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
CID 124628067
2-(1-aminocyclobutyl)-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone
CID 124697978
(3R)-N-(5-fluoro-2-pyridinyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
CID 99597501
[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 124697986

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of (2S)-2-hydroxy-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one (CID 124737577) is (2S)-2-hydroxy-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for (2S)-2-hydroxy-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for (2S)-2-hydroxy-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one is Cc1nc(C[C@H]2CCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)no1.
What is the InChIKey of (2S)-2-hydroxy-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is PUEDRYVMBZEOAQ-CVEARBPZSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-19-17(20-24-13)11-15-8-5-9-21(12-15)18(23)16(22)10-14-6-3-2-4-7-14/h2-4,6-7,15-16,22H,5,8-12H2,1H3/t15-,16+/m1/s1.
What are the key properties of (2S)-2-hydroxy-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one?
(2S)-2-hydroxy-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 329.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 124737577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).