1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

C24H32N4O4 — CID 55485462

IUPAC1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)C(C)NC(=O)c3ccc(C(C)(C)C)cc3)CC2)no1
InChIInChI=1S/C24H32N4O4/c1-15-14-20(27-32-15)26-22(30)18-10-12-28(13-11-18)23(31)16(2)25-21(29)17-6-8-19(9-7-17)24(3,4)5/h6-9,14,16,18H,10-13H2,1-5H3,(H,25,29)(H,26,27,30)
InChIKeyWPGUJJKGLFKURK-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.28
Rot. Bonds5

About 1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (PubChem CID 55485462) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
PubChem CID55485462
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)C(C)NC(=O)c3ccc(C(C)(C)C)cc3)CC2)no1
InChIInChI=1S/C24H32N4O4/c1-15-14-20(27-32-15)26-22(30)18-10-12-28(13-11-18)23(31)16(2)25-21(29)17-6-8-19(9-7-17)24(3,4)5/h6-9,14,16,18H,10-13H2,1-5H3,(H,25,29)(H,26,27,30)
InChIKeyWPGUJJKGLFKURK-UHFFFAOYSA-N
XLogP3.28
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

4-tert-butyl-N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 25473091
N-(5-methyl-1,2-oxazol-3-yl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 55608113
1-N,1-N-dimethyl-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
CID 47136046
tert-butyl 4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate
CID 110624102
1-(2,3-dimethylquinoxaline-6-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 51299844
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55930502
1-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 134026755
1-[2-(4-cyanophenoxy)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 51300270
N-(5-methyl-1,2-oxazol-3-yl)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 39702361
N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 39700752
1-(4-tert-butylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170990

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (CID 55485462) is 1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(C(=O)C(C)NC(=O)c3ccc(C(C)(C)C)cc3)CC2)no1.
What is the InChIKey of 1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The InChIKey is WPGUJJKGLFKURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-15-14-20(27-32-15)26-22(30)18-10-12-28(13-11-18)23(31)16(2)25-21(29)17-6-8-19(9-7-17)24(3,4)5/h6-9,14,16,18H,10-13H2,1-5H3,(H,25,29)(H,26,27,30).
What are the key properties of 1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55485462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).