(2S)-N-(2-methoxyphenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide

C22H25N5O3 — CID 52522453

IUPAC(2S)-N-(2-methoxyphenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
SMILESCOc1ccccc1NC(=O)[C@H](C)N1CCC(c2nc(-c3ccccn3)no2)CC1
InChIInChI=1S/C22H25N5O3/c1-15(21(28)24-17-7-3-4-9-19(17)29-2)27-13-10-16(11-14-27)22-25-20(26-30-22)18-8-5-6-12-23-18/h3-9,12,15-16H,10-11,13-14H2,1-2H3,(H,24,28)/t15-/m0/s1
InChIKeyNEDBFUIGVSDYFU-HNNXBMFYSA-N
MW407.47 g/mol
LogP3.35
Rot. Bonds6

About (2S)-N-(2-methoxyphenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide

(2S)-N-(2-methoxyphenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide (PubChem CID 52522453) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is (2S)-N-(2-methoxyphenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxyphenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
PubChem CID52522453
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name(2S)-N-(2-methoxyphenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
SMILESCOc1ccccc1NC(=O)[C@H](C)N1CCC(c2nc(-c3ccccn3)no2)CC1
InChIInChI=1S/C22H25N5O3/c1-15(21(28)24-17-7-3-4-9-19(17)29-2)27-13-10-16(11-14-27)22-25-20(26-30-22)18-8-5-6-12-23-18/h3-9,12,15-16H,10-11,13-14H2,1-2H3,(H,24,28)/t15-/m0/s1
InChIKeyNEDBFUIGVSDYFU-HNNXBMFYSA-N
XLogP3.35
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 119870841
methyl 1-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 41075173
2-(methylamino)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone;hydrochloride
CID 120704250
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 16605982
3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503538
3-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119870857
methyl (2R)-2-(2-chloro-6-fluorophenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate
CID 99782788
2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 48737094
5-[1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 97020839
3-(2-methoxy-4-methylphenoxy)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 86881664
4-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzoic acid
CID 167763221
3-amino-2-methyl-3-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 119870833

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxyphenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(2-methoxyphenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide (CID 52522453) is (2S)-N-(2-methoxyphenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(2-methoxyphenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(2-methoxyphenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide is COc1ccccc1NC(=O)[C@H](C)N1CCC(c2nc(-c3ccccn3)no2)CC1.
What is the InChIKey of (2S)-N-(2-methoxyphenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The InChIKey is NEDBFUIGVSDYFU-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-15(21(28)24-17-7-3-4-9-19(17)29-2)27-13-10-16(11-14-27)22-25-20(26-30-22)18-8-5-6-12-23-18/h3-9,12,15-16H,10-11,13-14H2,1-2H3,(H,24,28)/t15-/m0/s1.
What are the key properties of (2S)-N-(2-methoxyphenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
(2S)-N-(2-methoxyphenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide has a molecular weight of 407.47 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxyphenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 52522453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).