[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone

C18H24N4O3 — CID 95981882

IUPAC[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone
SMILESCc1noc(CNc2ccccc2C(=O)N2CCCC[C@H]2CCO)n1
InChIInChI=1S/C18H24N4O3/c1-13-20-17(25-21-13)12-19-16-8-3-2-7-15(16)18(24)22-10-5-4-6-14(22)9-11-23/h2-3,7-8,14,19,23H,4-6,9-12H2,1H3/t14-/m0/s1
InChIKeyWWSYEMSVNIUGGZ-AWEZNQCLSA-N
MW344.42 g/mol
LogP2.37
Rot. Bonds6

About [(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone

[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone (PubChem CID 95981882) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is [(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone
PubChem CID95981882
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone
SMILESCc1noc(CNc2ccccc2C(=O)N2CCCC[C@H]2CCO)n1
InChIInChI=1S/C18H24N4O3/c1-13-20-17(25-21-13)12-19-16-8-3-2-7-15(16)18(24)22-10-5-4-6-14(22)9-11-23/h2-3,7-8,14,19,23H,4-6,9-12H2,1H3/t14-/m0/s1
InChIKeyWWSYEMSVNIUGGZ-AWEZNQCLSA-N
XLogP2.37
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone with MolForge

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Related Compounds

N-carbamoyl-2-[2-[(2R)-2-(2-hydroxyethyl)piperidine-1-carbonyl]anilino]acetamide
CID 95636491
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CID 110886981
[2-(propylamino)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83044104
[2-(ethylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
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2,3-dihydro-1,4-benzodioxin-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 60955013
[2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone
CID 104690846
[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110887019
[5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62166978
1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602058
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]ethanone
CID 97074344
[2-(hydroxymethyl)azepan-1-yl]-[2-(propan-2-ylamino)phenyl]methanone
CID 116635542
(2,6-dichloro-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone?
The IUPAC name of [(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone (CID 95981882) is [(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone.
What is the SMILES notation for [(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone?
The canonical SMILES for [(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone is Cc1noc(CNc2ccccc2C(=O)N2CCCC[C@H]2CCO)n1.
What is the InChIKey of [(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone?
The InChIKey is WWSYEMSVNIUGGZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13-20-17(25-21-13)12-19-16-8-3-2-7-15(16)18(24)22-10-5-4-6-14(22)9-11-23/h2-3,7-8,14,19,23H,4-6,9-12H2,1H3/t14-/m0/s1.
What are the key properties of [(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone?
[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone has a molecular weight of 344.42 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone is sourced from PubChem (CID 95981882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).