3,5-dimethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

C21H26N2O3 — CID 1243032

IUPAC3,5-dimethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(CN3CCCCC3)cc2)c1
InChIInChI=1S/C21H26N2O3/c1-25-19-12-17(13-20(14-19)26-2)21(24)22-18-8-6-16(7-9-18)15-23-10-4-3-5-11-23/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,22,24)
InChIKeyGJPCUPGAKIAGHH-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.94
Rot. Bonds6

About 3,5-dimethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

3,5-dimethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (PubChem CID 1243032) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
PubChem CID1243032
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3,5-dimethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(CN3CCCCC3)cc2)c1
InChIInChI=1S/C21H26N2O3/c1-25-19-12-17(13-20(14-19)26-2)21(24)22-18-8-6-16(7-9-18)15-23-10-4-3-5-11-23/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,22,24)
InChIKeyGJPCUPGAKIAGHH-UHFFFAOYSA-N
XLogP3.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (CID 1243032) is 3,5-dimethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccc(CN3CCCCC3)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is GJPCUPGAKIAGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-19-12-17(13-20(14-19)26-2)21(24)22-18-8-6-16(7-9-18)15-23-10-4-3-5-11-23/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,22,24).
What are the key properties of 3,5-dimethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
3,5-dimethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 1243032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).