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

C17H21N3O3 — CID 110886981

IUPAC[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
SMILESCc1noc(-c2ccc(C(=O)N3CCCCC3CCO)cc2)n1
InChIInChI=1S/C17H21N3O3/c1-12-18-16(23-19-12)13-5-7-14(8-6-13)17(22)20-10-3-2-4-15(20)9-11-21/h5-8,15,21H,2-4,9-11H2,1H3
InChIKeyVCGVCWZGHLCDOB-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.42
Rot. Bonds4

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

[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (PubChem CID 110886981) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is [2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
PubChem CID110886981
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
SMILESCc1noc(-c2ccc(C(=O)N3CCCCC3CCO)cc2)n1
InChIInChI=1S/C17H21N3O3/c1-12-18-16(23-19-12)13-5-7-14(8-6-13)17(22)20-10-3-2-4-15(20)9-11-21/h5-8,15,21H,2-4,9-11H2,1H3
InChIKeyVCGVCWZGHLCDOB-UHFFFAOYSA-N
XLogP2.42
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]methanone
CID 110024673
(2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 77081763
[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone
CID 110895266
(4-bromo-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103956467
[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone
CID 95981882
[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 39581438
[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 134048335
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethane-1,2-dione
CID 110886980
[2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-3-pyridinyl]methanone
CID 84570849
[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 95863375
[2-(2-hydroxyethyl)piperidin-1-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 110903145
[2-(2-hydroxyethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60742117

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (CID 110886981) is [2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone.
What is the SMILES notation for [2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The canonical SMILES for [2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone is Cc1noc(-c2ccc(C(=O)N3CCCCC3CCO)cc2)n1.
What is the InChIKey of [2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The InChIKey is VCGVCWZGHLCDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-18-16(23-19-12)13-5-7-14(8-6-13)17(22)20-10-3-2-4-15(20)9-11-21/h5-8,15,21H,2-4,9-11H2,1H3.
What are the key properties of [2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone has a molecular weight of 315.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone is sourced from PubChem (CID 110886981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).