N-[1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide

C26H30N4O3 — CID 45222028

IUPACN-[1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCC(C(Cc2ccccc2)N(C)C(=O)c2ccccn2)CC1
InChIInChI=1S/C26H30N4O3/c1-18-24(19(2)33-28-18)26(32)30-15-12-21(13-16-30)23(17-20-9-5-4-6-10-20)29(3)25(31)22-11-7-8-14-27-22/h4-11,14,21,23H,12-13,15-17H2,1-3H3
InChIKeyZPBFYXWKBNGFIJ-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.92
Rot. Bonds6

About N-[1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide

N-[1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide (PubChem CID 45222028) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
PubChem CID45222028
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC NameN-[1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCC(C(Cc2ccccc2)N(C)C(=O)c2ccccn2)CC1
InChIInChI=1S/C26H30N4O3/c1-18-24(19(2)33-28-18)26(32)30-15-12-21(13-16-30)23(17-20-9-5-4-6-10-20)29(3)25(31)22-11-7-8-14-27-22/h4-11,14,21,23H,12-13,15-17H2,1-3H3
InChIKeyZPBFYXWKBNGFIJ-UHFFFAOYSA-N
XLogP3.92
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

N-methyl-N-[(1R)-1-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 42406587
N-[(1R)-1-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
CID 42500962
N-[(1S)-1-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
CID 26354113
N-[(1S)-1-[1-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
CID 26332911
N-[(1R)-1-[1-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
CID 26332908
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[methyl(pyridin-2-yl)amino]piperidin-1-yl]methanone
CID 163347120
N-methyl-N-[2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 45250903
N-methyl-N-[(1S)-2-phenyl-1-[1-(3-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 42481400
N-methyl-N-[1-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 126465588
N-methyl-N-[(1R)-1-[1-[2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 26345512
N-methyl-N-[1-[1-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 45210365
N-[1-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 45204564

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide (CID 45222028) is N-[1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide is Cc1noc(C)c1C(=O)N1CCC(C(Cc2ccccc2)N(C)C(=O)c2ccccn2)CC1.
What is the InChIKey of N-[1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is ZPBFYXWKBNGFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-18-24(19(2)33-28-18)26(32)30-15-12-21(13-16-30)23(17-20-9-5-4-6-10-20)29(3)25(31)22-11-7-8-14-27-22/h4-11,14,21,23H,12-13,15-17H2,1-3H3.
What are the key properties of N-[1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide?
N-[1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 45222028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).