4-(3-methoxyanilino)-N-methyl-1-(1,3-oxazole-4-carbonyl)piperidine-4-carboxamide

C18H22N4O4 — CID 155878961

IUPAC4-(3-methoxyanilino)-N-methyl-1-(1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
SMILESCNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)c2cocn2)CC1
InChIInChI=1S/C18H22N4O4/c1-19-17(24)18(21-13-4-3-5-14(10-13)25-2)6-8-22(9-7-18)16(23)15-11-26-12-20-15/h3-5,10-12,21H,6-9H2,1-2H3,(H,19,24)
InChIKeyPZHYKJCOKRGLJL-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.52
Rot. Bonds5

About 4-(3-methoxyanilino)-N-methyl-1-(1,3-oxazole-4-carbonyl)piperidine-4-carboxamide

4-(3-methoxyanilino)-N-methyl-1-(1,3-oxazole-4-carbonyl)piperidine-4-carboxamide (PubChem CID 155878961) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-N-methyl-1-(1,3-oxazole-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyanilino)-N-methyl-1-(1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
PubChem CID155878961
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name4-(3-methoxyanilino)-N-methyl-1-(1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
SMILESCNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)c2cocn2)CC1
InChIInChI=1S/C18H22N4O4/c1-19-17(24)18(21-13-4-3-5-14(10-13)25-2)6-8-22(9-7-18)16(23)15-11-26-12-20-15/h3-5,10-12,21H,6-9H2,1-2H3,(H,19,24)
InChIKeyPZHYKJCOKRGLJL-UHFFFAOYSA-N
XLogP1.52
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(cyclobutanecarbonyl)-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155880079
1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155879440
1-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155880014
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109193851
methyl 1-ethyl-4-(3-methoxyanilino)piperidine-4-carboxylate
CID 60993286
azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109196797
N-cyclopropyl-4-(3-methoxyanilino)piperidine-4-carboxamide
CID 155872355
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(3-methoxyanilino)pyrimidin-5-yl]methanone
CID 109261611
[4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208164
1-(2-ethoxyacetyl)-4-(3-methoxyanilino)-N,N-dimethylpiperidine-4-carboxamide
CID 155879122
[4-[(1-methylpyrazol-3-yl)amino]-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-(1,3-oxazol-4-yl)methanone
CID 155876770
N-(3-methoxyphenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide
CID 115304682

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-N-methyl-1-(1,3-oxazole-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 4-(3-methoxyanilino)-N-methyl-1-(1,3-oxazole-4-carbonyl)piperidine-4-carboxamide (CID 155878961) is 4-(3-methoxyanilino)-N-methyl-1-(1,3-oxazole-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-(3-methoxyanilino)-N-methyl-1-(1,3-oxazole-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 4-(3-methoxyanilino)-N-methyl-1-(1,3-oxazole-4-carbonyl)piperidine-4-carboxamide is CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)c2cocn2)CC1.
What is the InChIKey of 4-(3-methoxyanilino)-N-methyl-1-(1,3-oxazole-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is PZHYKJCOKRGLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-19-17(24)18(21-13-4-3-5-14(10-13)25-2)6-8-22(9-7-18)16(23)15-11-26-12-20-15/h3-5,10-12,21H,6-9H2,1-2H3,(H,19,24).
What are the key properties of 4-(3-methoxyanilino)-N-methyl-1-(1,3-oxazole-4-carbonyl)piperidine-4-carboxamide?
4-(3-methoxyanilino)-N-methyl-1-(1,3-oxazole-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-N-methyl-1-(1,3-oxazole-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 155878961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).