2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide

C21H24N2O2 — CID 737731

IUPAC2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C21H24N2O2/c1-15-11-13-23(14-12-15)21(25)18-9-5-6-10-19(18)22-20(24)17-8-4-3-7-16(17)2/h3-10,15H,11-14H2,1-2H3,(H,22,24)
InChIKeyYWRGKJJANHXWLB-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.12
Rot. Bonds3

About 2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide

2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (PubChem CID 737731) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
PubChem CID737731
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C21H24N2O2/c1-15-11-13-23(14-12-15)21(25)18-9-5-6-10-19(18)22-20(24)17-8-4-3-7-16(17)2/h3-10,15H,11-14H2,1-2H3,(H,22,24)
InChIKeyYWRGKJJANHXWLB-UHFFFAOYSA-N
XLogP4.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (CID 737731) is 2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is Cc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1.
What is the InChIKey of 2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is YWRGKJJANHXWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15-11-13-23(14-12-15)21(25)18-9-5-6-10-19(18)22-20(24)17-8-4-3-7-16(17)2/h3-10,15H,11-14H2,1-2H3,(H,22,24).
What are the key properties of 2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 336.44 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 737731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).