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

C20H23ClN2O2 — CID 2196445

IUPAC5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C20H23ClN2O2/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)
InChIKeyDMBAVRZGVYMCCE-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.59
Rot. Bonds5

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

5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (PubChem CID 2196445) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
PubChem CID2196445
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C20H23ClN2O2/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)
InChIKeyDMBAVRZGVYMCCE-UHFFFAOYSA-N
XLogP4.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (CID 2196445) is 5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is DMBAVRZGVYMCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/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-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide has a molecular weight of 358.87 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 2196445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).