1-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carbonyl]piperidine-4-carboxamide

C22H23N3O4 — CID 25381440

IUPAC1-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cc2nc3ccc(C(=O)N4CCC(C(N)=O)CC4)cc3o2)cc1
InChIInChI=1S/C22H23N3O4/c1-28-17-5-2-14(3-6-17)12-20-24-18-7-4-16(13-19(18)29-20)22(27)25-10-8-15(9-11-25)21(23)26/h2-7,13,15H,8-12H2,1H3,(H2,23,26)
InChIKeyVNJLLDOPOYSMDB-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.76
Rot. Bonds5

About 1-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carbonyl]piperidine-4-carboxamide

1-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carbonyl]piperidine-4-carboxamide (PubChem CID 25381440) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 1-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carbonyl]piperidine-4-carboxamide
PubChem CID25381440
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name1-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cc2nc3ccc(C(=O)N4CCC(C(N)=O)CC4)cc3o2)cc1
InChIInChI=1S/C22H23N3O4/c1-28-17-5-2-14(3-6-17)12-20-24-18-7-4-16(13-19(18)29-20)22(27)25-10-8-15(9-11-25)21(23)26/h2-7,13,15H,8-12H2,1H3,(H2,23,26)
InChIKeyVNJLLDOPOYSMDB-UHFFFAOYSA-N
XLogP2.76
TPSA98.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carbonyl]piperidine-4-carboxamide (CID 25381440) is 1-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carbonyl]piperidine-4-carboxamide is COc1ccc(Cc2nc3ccc(C(=O)N4CCC(C(N)=O)CC4)cc3o2)cc1.
What is the InChIKey of 1-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carbonyl]piperidine-4-carboxamide?
The InChIKey is VNJLLDOPOYSMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-28-17-5-2-14(3-6-17)12-20-24-18-7-4-16(13-19(18)29-20)22(27)25-10-8-15(9-11-25)21(23)26/h2-7,13,15H,8-12H2,1H3,(H2,23,26).
What are the key properties of 1-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carbonyl]piperidine-4-carboxamide?
1-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carbonyl]piperidine-4-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 25381440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).