(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-quinolin-6-ylpiperidine-1-carboxamide

C20H23N5O3 — CID 97282653

IUPAC(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-quinolin-6-ylpiperidine-1-carboxamide
SMILESCOCCc1noc([C@H]2CCCCN2C(=O)Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C20H23N5O3/c1-27-12-9-18-23-19(28-24-18)17-6-2-3-11-25(17)20(26)22-15-7-8-16-14(13-15)5-4-10-21-16/h4-5,7-8,10,13,17H,2-3,6,9,11-12H2,1H3,(H,22,26)/t17-/m1/s1
InChIKeyCSJUOEHRJCFJAA-QGZVFWFLSA-N
MW381.44 g/mol
LogP3.57
Rot. Bonds5

About (2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-quinolin-6-ylpiperidine-1-carboxamide

(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-quinolin-6-ylpiperidine-1-carboxamide (PubChem CID 97282653) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is (2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-quinolin-6-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-quinolin-6-ylpiperidine-1-carboxamide
PubChem CID97282653
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-quinolin-6-ylpiperidine-1-carboxamide
SMILESCOCCc1noc([C@H]2CCCCN2C(=O)Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C20H23N5O3/c1-27-12-9-18-23-19(28-24-18)17-6-2-3-11-25(17)20(26)22-15-7-8-16-14(13-15)5-4-10-21-16/h4-5,7-8,10,13,17H,2-3,6,9,11-12H2,1H3,(H,22,26)/t17-/m1/s1
InChIKeyCSJUOEHRJCFJAA-QGZVFWFLSA-N
XLogP3.57
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 72843680
N-(2-chloro-6-methylphenyl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 72916410
[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 138807069
2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide
CID 91909962
(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 126447176
2-(2,3-dihydro-1H-inden-2-yl)-1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 91841472
(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 31258686
[(2S)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 95110670
[(2S)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 97141342
1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 131898449
(2R)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 125435815
N-(3-methoxyphenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 4567625

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-quinolin-6-ylpiperidine-1-carboxamide?
The IUPAC name of (2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-quinolin-6-ylpiperidine-1-carboxamide (CID 97282653) is (2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-quinolin-6-ylpiperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-quinolin-6-ylpiperidine-1-carboxamide?
The canonical SMILES for (2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-quinolin-6-ylpiperidine-1-carboxamide is COCCc1noc([C@H]2CCCCN2C(=O)Nc2ccc3ncccc3c2)n1.
What is the InChIKey of (2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-quinolin-6-ylpiperidine-1-carboxamide?
The InChIKey is CSJUOEHRJCFJAA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-27-12-9-18-23-19(28-24-18)17-6-2-3-11-25(17)20(26)22-15-7-8-16-14(13-15)5-4-10-21-16/h4-5,7-8,10,13,17H,2-3,6,9,11-12H2,1H3,(H,22,26)/t17-/m1/s1.
What are the key properties of (2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-quinolin-6-ylpiperidine-1-carboxamide?
(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-quinolin-6-ylpiperidine-1-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-quinolin-6-ylpiperidine-1-carboxamide is sourced from PubChem (CID 97282653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).