2-methyl-5-piperidin-4-ylbenzamide

C13H18N2O — CID 175991950

IUPAC2-methyl-5-piperidin-4-ylbenzamide
SMILESCc1ccc(C2CCNCC2)cc1C(N)=O
InChIInChI=1S/C13H18N2O/c1-9-2-3-11(8-12(9)13(14)16)10-4-6-15-7-5-10/h2-3,8,10,15H,4-7H2,1H3,(H2,14,16)
InChIKeyNCVWZRUAYNPUQK-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.56
Rot. Bonds2

About 2-methyl-5-piperidin-4-ylbenzamide

2-methyl-5-piperidin-4-ylbenzamide (PubChem CID 175991950) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-methyl-5-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name2-methyl-5-piperidin-4-ylbenzamide
PubChem CID175991950
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-methyl-5-piperidin-4-ylbenzamide
SMILESCc1ccc(C2CCNCC2)cc1C(N)=O
InChIInChI=1S/C13H18N2O/c1-9-2-3-11(8-12(9)13(14)16)10-4-6-15-7-5-10/h2-3,8,10,15H,4-7H2,1H3,(H2,14,16)
InChIKeyNCVWZRUAYNPUQK-UHFFFAOYSA-N
XLogP1.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-4-ylbenzamide?
The IUPAC name of 2-methyl-5-piperidin-4-ylbenzamide (CID 175991950) is 2-methyl-5-piperidin-4-ylbenzamide.
What is the SMILES notation for 2-methyl-5-piperidin-4-ylbenzamide?
The canonical SMILES for 2-methyl-5-piperidin-4-ylbenzamide is Cc1ccc(C2CCNCC2)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-piperidin-4-ylbenzamide?
The InChIKey is NCVWZRUAYNPUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-2-3-11(8-12(9)13(14)16)10-4-6-15-7-5-10/h2-3,8,10,15H,4-7H2,1H3,(H2,14,16).
What are the key properties of 2-methyl-5-piperidin-4-ylbenzamide?
2-methyl-5-piperidin-4-ylbenzamide has a molecular weight of 218.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-4-ylbenzamide is sourced from PubChem (CID 175991950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).