(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide

C19H20N4O4 — CID 97270391

IUPAC(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide
SMILESCc1noc([C@H]2CCCCN2C(=O)Nc2ccc3c(C)cc(=O)oc3c2)n1
InChIInChI=1S/C19H20N4O4/c1-11-9-17(24)26-16-10-13(6-7-14(11)16)21-19(25)23-8-4-3-5-15(23)18-20-12(2)22-27-18/h6-7,9-10,15H,3-5,8H2,1-2H3,(H,21,25)/t15-/m1/s1
InChIKeyWHSOJEGXBXJAGX-OAHLLOKOSA-N
MW368.39 g/mol
LogP3.55
Rot. Bonds2

About (2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide

(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide (PubChem CID 97270391) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is (2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide
PubChem CID97270391
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide
SMILESCc1noc([C@H]2CCCCN2C(=O)Nc2ccc3c(C)cc(=O)oc3c2)n1
InChIInChI=1S/C19H20N4O4/c1-11-9-17(24)26-16-10-13(6-7-14(11)16)21-19(25)23-8-4-3-5-15(23)18-20-12(2)22-27-18/h6-7,9-10,15H,3-5,8H2,1-2H3,(H,21,25)/t15-/m1/s1
InChIKeyWHSOJEGXBXJAGX-OAHLLOKOSA-N
XLogP3.55
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-1,2-oxazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide
CID 118784987
N-(4-ethylsulfanylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 118785815
(2R)-N-(4-imidazol-1-ylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 125162807
(3,6-dimethyl-1-benzofuran-2-yl)-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 70740941
N-(3-chloro-4-methylphenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760816
N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide
CID 110196408
N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
CID 26878502
(2R)-N-(3-methylphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7362376
(2S)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 126425990
(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-methyl-4-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 97454949
(2S)-N-(furan-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 95186545
(2R)-1-(2-aminoacetyl)-N-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2-carboxamide
CID 56845687

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide?
The IUPAC name of (2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide (CID 97270391) is (2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide is Cc1noc([C@H]2CCCCN2C(=O)Nc2ccc3c(C)cc(=O)oc3c2)n1.
What is the InChIKey of (2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide?
The InChIKey is WHSOJEGXBXJAGX-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-11-9-17(24)26-16-10-13(6-7-14(11)16)21-19(25)23-8-4-3-5-15(23)18-20-12(2)22-27-18/h6-7,9-10,15H,3-5,8H2,1-2H3,(H,21,25)/t15-/m1/s1.
What are the key properties of (2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide?
(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97270391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).