(3S)-N-(5-methyl-2-phenoxyphenyl)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxamide

C21H22N4O4 — CID 124741843

IUPAC(3S)-N-(5-methyl-2-phenoxyphenyl)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1ccc(Oc2ccccc2)c(NC(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)c1
InChIInChI=1S/C21H22N4O4/c1-14-9-10-18(28-16-7-3-2-4-8-16)17(12-14)22-20(26)25-11-5-6-15(13-25)19-23-24-21(27)29-19/h2-4,7-10,12,15H,5-6,11,13H2,1H3,(H,22,26)(H,24,27)/t15-/m0/s1
InChIKeyWYFVNBGGXWNKBE-HNNXBMFYSA-N
MW394.43 g/mol
LogP3.88
Rot. Bonds4

About (3S)-N-(5-methyl-2-phenoxyphenyl)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxamide

(3S)-N-(5-methyl-2-phenoxyphenyl)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 124741843) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is (3S)-N-(5-methyl-2-phenoxyphenyl)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-methyl-2-phenoxyphenyl)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID124741843
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name(3S)-N-(5-methyl-2-phenoxyphenyl)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1ccc(Oc2ccccc2)c(NC(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)c1
InChIInChI=1S/C21H22N4O4/c1-14-9-10-18(28-16-7-3-2-4-8-16)17(12-14)22-20(26)25-11-5-6-15(13-25)19-23-24-21(27)29-19/h2-4,7-10,12,15H,5-6,11,13H2,1H3,(H,22,26)(H,24,27)/t15-/m0/s1
InChIKeyWYFVNBGGXWNKBE-HNNXBMFYSA-N
XLogP3.88
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-2-phenoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 110929977
1-[[2-(4-methylphenoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074253
5-[1-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376027
1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 56684470
(3R)-1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 52663493
(4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide
CID 125166844
(3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 111473314
5-[1-[4-(3,4-dimethylphenyl)oxane-4-carbonyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 138058226
5-methyl-N-(5-methyl-2-phenoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119808194
5-[1-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 166244495
N-(5-fluoro-2-phenoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110929978
5-[1-(2-chloro-4-methylbenzoyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 122153512

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-methyl-2-phenoxyphenyl)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(5-methyl-2-phenoxyphenyl)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 124741843) is (3S)-N-(5-methyl-2-phenoxyphenyl)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(5-methyl-2-phenoxyphenyl)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(5-methyl-2-phenoxyphenyl)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxamide is Cc1ccc(Oc2ccccc2)c(NC(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)c1.
What is the InChIKey of (3S)-N-(5-methyl-2-phenoxyphenyl)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is WYFVNBGGXWNKBE-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-14-9-10-18(28-16-7-3-2-4-8-16)17(12-14)22-20(26)25-11-5-6-15(13-25)19-23-24-21(27)29-19/h2-4,7-10,12,15H,5-6,11,13H2,1H3,(H,22,26)(H,24,27)/t15-/m0/s1.
What are the key properties of (3S)-N-(5-methyl-2-phenoxyphenyl)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxamide?
(3S)-N-(5-methyl-2-phenoxyphenyl)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-methyl-2-phenoxyphenyl)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124741843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).