1-[(2-methoxyphenyl)methyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide

C19H23N3O4 — CID 24790105

IUPAC1-[(2-methoxyphenyl)methyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NCc2cc(C)on2)CCC1=O
InChIInChI=1S/C19H23N3O4/c1-13-9-16(21-26-13)10-20-19(24)15-7-8-18(23)22(12-15)11-14-5-3-4-6-17(14)25-2/h3-6,9,15H,7-8,10-12H2,1-2H3,(H,20,24)
InChIKeyBMEAHOPSAXCXTJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.05
Rot. Bonds6

About 1-[(2-methoxyphenyl)methyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide

1-[(2-methoxyphenyl)methyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790105) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790105
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-[(2-methoxyphenyl)methyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NCc2cc(C)on2)CCC1=O
InChIInChI=1S/C19H23N3O4/c1-13-9-16(21-26-13)10-20-19(24)15-7-8-18(23)22(12-15)11-14-5-3-4-6-17(14)25-2/h3-6,9,15H,7-8,10-12H2,1-2H3,(H,20,24)
InChIKeyBMEAHOPSAXCXTJ-UHFFFAOYSA-N
XLogP2.05
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24790105) is 1-[(2-methoxyphenyl)methyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide is COc1ccccc1CN1CC(C(=O)NCc2cc(C)on2)CCC1=O.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is BMEAHOPSAXCXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13-9-16(21-26-13)10-20-19(24)15-7-8-18(23)22(12-15)11-14-5-3-4-6-17(14)25-2/h3-6,9,15H,7-8,10-12H2,1-2H3,(H,20,24).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-[(2-methoxyphenyl)methyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).