3-[2-(piperidin-4-ylmethylamino)phenyl]benzamide

C19H23N3O — CID 171348346

IUPAC3-[2-(piperidin-4-ylmethylamino)phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccccc2NCC2CCNCC2)c1
InChIInChI=1S/C19H23N3O/c20-19(23)16-5-3-4-15(12-16)17-6-1-2-7-18(17)22-13-14-8-10-21-11-9-14/h1-7,12,14,21-22H,8-11,13H2,(H2,20,23)
InChIKeyGZSDAZQYMDAPAW-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.86
Rot. Bonds5

About 3-[2-(piperidin-4-ylmethylamino)phenyl]benzamide

3-[2-(piperidin-4-ylmethylamino)phenyl]benzamide (PubChem CID 171348346) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-[2-(piperidin-4-ylmethylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-[2-(piperidin-4-ylmethylamino)phenyl]benzamide
PubChem CID171348346
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name3-[2-(piperidin-4-ylmethylamino)phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccccc2NCC2CCNCC2)c1
InChIInChI=1S/C19H23N3O/c20-19(23)16-5-3-4-15(12-16)17-6-1-2-7-18(17)22-13-14-8-10-21-11-9-14/h1-7,12,14,21-22H,8-11,13H2,(H2,20,23)
InChIKeyGZSDAZQYMDAPAW-UHFFFAOYSA-N
XLogP2.86
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(piperidin-4-ylmethylamino)phenyl]benzamide?
The IUPAC name of 3-[2-(piperidin-4-ylmethylamino)phenyl]benzamide (CID 171348346) is 3-[2-(piperidin-4-ylmethylamino)phenyl]benzamide.
What is the SMILES notation for 3-[2-(piperidin-4-ylmethylamino)phenyl]benzamide?
The canonical SMILES for 3-[2-(piperidin-4-ylmethylamino)phenyl]benzamide is NC(=O)c1cccc(-c2ccccc2NCC2CCNCC2)c1.
What is the InChIKey of 3-[2-(piperidin-4-ylmethylamino)phenyl]benzamide?
The InChIKey is GZSDAZQYMDAPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c20-19(23)16-5-3-4-15(12-16)17-6-1-2-7-18(17)22-13-14-8-10-21-11-9-14/h1-7,12,14,21-22H,8-11,13H2,(H2,20,23).
What are the key properties of 3-[2-(piperidin-4-ylmethylamino)phenyl]benzamide?
3-[2-(piperidin-4-ylmethylamino)phenyl]benzamide has a molecular weight of 309.41 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(piperidin-4-ylmethylamino)phenyl]benzamide is sourced from PubChem (CID 171348346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).