2-methyl-N-[3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide

C21H28N4O3 — CID 55886476

IUPAC2-methyl-N-[3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
SMILESCc1noc(C2CCN(C(=O)C(NC(=O)c3ccccc3C)C(C)C)CC2)n1
InChIInChI=1S/C21H28N4O3/c1-13(2)18(23-19(26)17-8-6-5-7-14(17)3)21(27)25-11-9-16(10-12-25)20-22-15(4)24-28-20/h5-8,13,16,18H,9-12H2,1-4H3,(H,23,26)
InChIKeyKVFQDGFYURBQPL-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.85
Rot. Bonds5

About 2-methyl-N-[3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide

2-methyl-N-[3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide (PubChem CID 55886476) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
PubChem CID55886476
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name2-methyl-N-[3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
SMILESCc1noc(C2CCN(C(=O)C(NC(=O)c3ccccc3C)C(C)C)CC2)n1
InChIInChI=1S/C21H28N4O3/c1-13(2)18(23-19(26)17-8-6-5-7-14(17)3)21(27)25-11-9-16(10-12-25)20-22-15(4)24-28-20/h5-8,13,16,18H,9-12H2,1-4H3,(H,23,26)
InChIKeyKVFQDGFYURBQPL-UHFFFAOYSA-N
XLogP2.85
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]piperidine-4-carboxylate
CID 78779880
ethyl 1-[3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]piperidine-4-carboxylate
CID 78780374
N-[3-methyl-1-oxo-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-yl]furan-2-carboxamide
CID 53023537
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide;hydrochloride
CID 120820317
(2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 119944908
2-methyl-N-[3-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 119489416
N-[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 46523708
N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide;hydrochloride
CID 119415508
(2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 128988584
(2S)-2-amino-3,3-dimethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119744954
(2S)-2-amino-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119301181
2-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]benzamide
CID 9226292

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide (CID 55886476) is 2-methyl-N-[3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide is Cc1noc(C2CCN(C(=O)C(NC(=O)c3ccccc3C)C(C)C)CC2)n1.
What is the InChIKey of 2-methyl-N-[3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide?
The InChIKey is KVFQDGFYURBQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-13(2)18(23-19(26)17-8-6-5-7-14(17)3)21(27)25-11-9-16(10-12-25)20-22-15(4)24-28-20/h5-8,13,16,18H,9-12H2,1-4H3,(H,23,26).
What are the key properties of 2-methyl-N-[3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide?
2-methyl-N-[3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55886476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).