5-bromo-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

C20H23BrN2O2 — CID 1297608

IUPAC5-bromo-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C20H23BrN2O2/c1-25-19-10-7-16(21)13-18(19)20(24)22-17-8-5-15(6-9-17)14-23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,24)
InChIKeySAORHWBYGVHZGA-UHFFFAOYSA-N
MW403.32 g/mol
LogP4.70
Rot. Bonds5

About 5-bromo-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

5-bromo-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (PubChem CID 1297608) has the molecular formula C20H23BrN2O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
PubChem CID1297608
Molecular FormulaC20H23BrN2O2
Molecular Weight403.32 g/mol
Exact Mass402.09
IUPAC Name5-bromo-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C20H23BrN2O2/c1-25-19-10-7-16(21)13-18(19)20(24)22-17-8-5-15(6-9-17)14-23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,24)
InChIKeySAORHWBYGVHZGA-UHFFFAOYSA-N
XLogP4.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (CID 1297608) is 5-bromo-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is COc1ccc(Br)cc1C(=O)Nc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 5-bromo-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is SAORHWBYGVHZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O2/c1-25-19-10-7-16(21)13-18(19)20(24)22-17-8-5-15(6-9-17)14-23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,24).
What are the key properties of 5-bromo-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
5-bromo-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide has a molecular weight of 403.32 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 1297608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).