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

C20H26N4O4 — CID 71837644

IUPAC2-[1-[(4-methoxyphenyl)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)cc1
InChIInChI=1S/C20H26N4O4/c1-13-17(19(25)23(2)3)22-18(28-13)14-9-11-24(12-10-14)20(26)21-15-5-7-16(27-4)8-6-15/h5-8,14H,9-12H2,1-4H3,(H,21,26)
InChIKeyFZUCRFCZJGCDNU-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.10
Rot. Bonds4

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

2-[1-[(4-methoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (PubChem CID 71837644) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[1-[(4-methoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[(4-methoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
PubChem CID71837644
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name2-[1-[(4-methoxyphenyl)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)cc1
InChIInChI=1S/C20H26N4O4/c1-13-17(19(25)23(2)3)22-18(28-13)14-9-11-24(12-10-14)20(26)21-15-5-7-16(27-4)8-6-15/h5-8,14H,9-12H2,1-4H3,(H,21,26)
InChIKeyFZUCRFCZJGCDNU-UHFFFAOYSA-N
XLogP3.10
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-[(4-methoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (CID 71837644) is 2-[1-[(4-methoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-[(4-methoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-[(4-methoxyphenyl)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)cc1.
What is the InChIKey of 2-[1-[(4-methoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is FZUCRFCZJGCDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-13-17(19(25)23(2)3)22-18(28-13)14-9-11-24(12-10-14)20(26)21-15-5-7-16(27-4)8-6-15/h5-8,14H,9-12H2,1-4H3,(H,21,26).
What are the key properties of 2-[1-[(4-methoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
2-[1-[(4-methoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71837644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).