1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

C21H27N3O4 — CID 131934712

IUPAC1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCc1nc(C)c(C(=O)N2CCC(C(=O)NCc3ccc(OC)cc3)CC2)o1
InChIInChI=1S/C21H27N3O4/c1-4-18-23-14(2)19(28-18)21(26)24-11-9-16(10-12-24)20(25)22-13-15-5-7-17(27-3)8-6-15/h5-8,16H,4,9-13H2,1-3H3,(H,22,25)
InChIKeyXBVOJDSWXTWBHH-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.72
Rot. Bonds6

About 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 131934712) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID131934712
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCc1nc(C)c(C(=O)N2CCC(C(=O)NCc3ccc(OC)cc3)CC2)o1
InChIInChI=1S/C21H27N3O4/c1-4-18-23-14(2)19(28-18)21(26)24-11-9-16(10-12-24)20(25)22-13-15-5-7-17(27-3)8-6-15/h5-8,16H,4,9-13H2,1-3H3,(H,22,25)
InChIKeyXBVOJDSWXTWBHH-UHFFFAOYSA-N
XLogP2.72
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 46361301
N-[(4-methoxyphenyl)methyl]-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004350
4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 154839476
1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 131894163
1-(2-aminobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119945115
1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119309414
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 20956106
N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605
1-(2-aminopentanoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119309434
N-[(4-methoxyphenyl)methyl]-1-[6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 91889613
1-(1,3-dioxolan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 171907624
2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 134698273

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 131934712) is 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is CCc1nc(C)c(C(=O)N2CCC(C(=O)NCc3ccc(OC)cc3)CC2)o1.
What is the InChIKey of 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is XBVOJDSWXTWBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-4-18-23-14(2)19(28-18)21(26)24-11-9-16(10-12-24)20(25)22-13-15-5-7-17(27-3)8-6-15/h5-8,16H,4,9-13H2,1-3H3,(H,22,25).
What are the key properties of 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 131934712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).