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

C17H23N5O2 — CID 97213248

IUPAC(2R)-2-methyl-1-[(2S)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one
SMILESCCC[C@@H](C)C(=O)N1CCCC[C@H]1c1nc(-c2ncccn2)no1
InChIInChI=1S/C17H23N5O2/c1-3-7-12(2)17(23)22-11-5-4-8-13(22)16-20-15(21-24-16)14-18-9-6-10-19-14/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3/t12-,13+/m1/s1
InChIKeyDPVVXZFODIIZBH-OLZOCXBDSA-N
MW329.40 g/mol
LogP3.02
Rot. Bonds5

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

(2R)-2-methyl-1-[(2S)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one (PubChem CID 97213248) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R)-2-methyl-1-[(2S)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name(2R)-2-methyl-1-[(2S)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one
PubChem CID97213248
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(2R)-2-methyl-1-[(2S)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one
SMILESCCC[C@@H](C)C(=O)N1CCCC[C@H]1c1nc(-c2ncccn2)no1
InChIInChI=1S/C17H23N5O2/c1-3-7-12(2)17(23)22-11-5-4-8-13(22)16-20-15(21-24-16)14-18-9-6-10-19-14/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3/t12-,13+/m1/s1
InChIKeyDPVVXZFODIIZBH-OLZOCXBDSA-N
XLogP3.02
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 5041524
(2S)-2-ethyl-1-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]hexan-1-one
CID 7415224
1-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 812478
2-methyl-1-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 42765155
5-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole
CID 97211961
1-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 42760304
(4-ethylphenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 4018131
N-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 3675967
cyclopentyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 42765321
1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pentan-1-one
CID 4992104
(2S)-1-[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylbutan-1-one
CID 7414308
1-[(2R)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 812538

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[(2S)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one?
The IUPAC name of (2R)-2-methyl-1-[(2S)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one (CID 97213248) is (2R)-2-methyl-1-[(2S)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for (2R)-2-methyl-1-[(2S)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for (2R)-2-methyl-1-[(2S)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one is CCC[C@@H](C)C(=O)N1CCCC[C@H]1c1nc(-c2ncccn2)no1.
What is the InChIKey of (2R)-2-methyl-1-[(2S)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one?
The InChIKey is DPVVXZFODIIZBH-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-7-12(2)17(23)22-11-5-4-8-13(22)16-20-15(21-24-16)14-18-9-6-10-19-14/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (2R)-2-methyl-1-[(2S)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one?
(2R)-2-methyl-1-[(2S)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one has a molecular weight of 329.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[(2S)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 97213248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).