2-benzamido-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide

C26H25N3O4 — CID 118731970

IUPAC2-benzamido-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2)c(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C26H25N3O4/c1-33-21-14-15-23(28-25(31)18-7-3-2-4-8-18)22(17-21)26(32)27-19-10-12-20(13-11-19)29-16-6-5-9-24(29)30/h2-4,7-8,10-15,17H,5-6,9,16H2,1H3,(H,27,32)(H,28,31)
InChIKeyBCZTXQNCXNXPHQ-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.72
Rot. Bonds6

About 2-benzamido-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide

2-benzamido-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide (PubChem CID 118731970) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-benzamido-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-benzamido-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
PubChem CID118731970
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name2-benzamido-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2)c(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C26H25N3O4/c1-33-21-14-15-23(28-25(31)18-7-3-2-4-8-18)22(17-21)26(32)27-19-10-12-20(13-11-19)29-16-6-5-9-24(29)30/h2-4,7-8,10-15,17H,5-6,9,16H2,1H3,(H,27,32)(H,28,31)
InChIKeyBCZTXQNCXNXPHQ-UHFFFAOYSA-N
XLogP4.72
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 2-benzamido-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide (CID 118731970) is 2-benzamido-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-benzamido-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-benzamido-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide is COc1ccc(NC(=O)c2ccccc2)c(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1.
What is the InChIKey of 2-benzamido-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide?
The InChIKey is BCZTXQNCXNXPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-33-21-14-15-23(28-25(31)18-7-3-2-4-8-18)22(17-21)26(32)27-19-10-12-20(13-11-19)29-16-6-5-9-24(29)30/h2-4,7-8,10-15,17H,5-6,9,16H2,1H3,(H,27,32)(H,28,31).
What are the key properties of 2-benzamido-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide?
2-benzamido-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide has a molecular weight of 443.50 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 118731970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).