2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide

C21H28N4O4 — CID 53168459

IUPAC2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3nc(C(=O)N(C)C)c(C)o3)CC2)c(C)c1
InChIInChI=1S/C21H28N4O4/c1-13-12-16(28-5)6-7-17(13)22-21(27)25-10-8-15(9-11-25)19-23-18(14(2)29-19)20(26)24(3)4/h6-7,12,15H,8-11H2,1-5H3,(H,22,27)
InChIKeyXIGNEVHGJXYHDE-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.41
Rot. Bonds4

About 2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide

2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (PubChem CID 53168459) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
PubChem CID53168459
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3nc(C(=O)N(C)C)c(C)o3)CC2)c(C)c1
InChIInChI=1S/C21H28N4O4/c1-13-12-16(28-5)6-7-17(13)22-21(27)25-10-8-15(9-11-25)19-23-18(14(2)29-19)20(26)24(3)4/h6-7,12,15H,8-11H2,1-5H3,(H,22,27)
InChIKeyXIGNEVHGJXYHDE-UHFFFAOYSA-N
XLogP3.41
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (CID 53168459) is 2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide is COc1ccc(NC(=O)N2CCC(c3nc(C(=O)N(C)C)c(C)o3)CC2)c(C)c1.
What is the InChIKey of 2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is XIGNEVHGJXYHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-13-12-16(28-5)6-7-17(13)22-21(27)25-10-8-15(9-11-25)19-23-18(14(2)29-19)20(26)24(3)4/h6-7,12,15H,8-11H2,1-5H3,(H,22,27).
What are the key properties of 2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53168459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).