4-methyl-N-[3-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide

C21H25N3O2 — CID 6486838

IUPAC4-methyl-N-[3-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(NC(=O)CN3CCCCC3)c2)cc1
InChIInChI=1S/C21H25N3O2/c1-16-8-10-17(11-9-16)21(26)23-19-7-5-6-18(14-19)22-20(25)15-24-12-3-2-4-13-24/h5-11,14H,2-4,12-13,15H2,1H3,(H,22,25)(H,23,26)
InChIKeyQYXVDSPFDUFEOL-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.67
Rot. Bonds5

About 4-methyl-N-[3-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide

4-methyl-N-[3-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide (PubChem CID 6486838) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-methyl-N-[3-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide
PubChem CID6486838
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-methyl-N-[3-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(NC(=O)CN3CCCCC3)c2)cc1
InChIInChI=1S/C21H25N3O2/c1-16-8-10-17(11-9-16)21(26)23-19-7-5-6-18(14-19)22-20(25)15-24-12-3-2-4-13-24/h5-11,14H,2-4,12-13,15H2,1H3,(H,22,25)(H,23,26)
InChIKeyQYXVDSPFDUFEOL-UHFFFAOYSA-N
XLogP3.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide?
The IUPAC name of 4-methyl-N-[3-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide (CID 6486838) is 4-methyl-N-[3-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[3-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(NC(=O)CN3CCCCC3)c2)cc1.
What is the InChIKey of 4-methyl-N-[3-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide?
The InChIKey is QYXVDSPFDUFEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-8-10-17(11-9-16)21(26)23-19-7-5-6-18(14-19)22-20(25)15-24-12-3-2-4-13-24/h5-11,14H,2-4,12-13,15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 4-methyl-N-[3-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide?
4-methyl-N-[3-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 6486838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).