3-methyl-N-piperidin-1-ium-4-ylbenzamide

C13H19N2O+ — CID 7412122

IUPAC3-methyl-N-piperidin-1-ium-4-ylbenzamide
SMILESCc1cccc(C(=O)NC2CC[NH2+]CC2)c1
InChIInChI=1S/C13H18N2O/c1-10-3-2-4-11(9-10)13(16)15-12-5-7-14-8-6-12/h2-4,9,12,14H,5-8H2,1H3,(H,15,16)/p+1
InChIKeyHGTATXAWYLEONS-UHFFFAOYSA-O
MW219.31 g/mol
LogP0.45
Rot. Bonds2

About 3-methyl-N-piperidin-1-ium-4-ylbenzamide

3-methyl-N-piperidin-1-ium-4-ylbenzamide (PubChem CID 7412122) has the molecular formula C13H19N2O+ and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-methyl-N-piperidin-1-ium-4-ylbenzamide.

Molecular Properties

Compound Name3-methyl-N-piperidin-1-ium-4-ylbenzamide
PubChem CID7412122
Molecular FormulaC13H19N2O+
Molecular Weight219.31 g/mol
Exact Mass219.15
IUPAC Name3-methyl-N-piperidin-1-ium-4-ylbenzamide
SMILESCc1cccc(C(=O)NC2CC[NH2+]CC2)c1
InChIInChI=1S/C13H18N2O/c1-10-3-2-4-11(9-10)13(16)15-12-5-7-14-8-6-12/h2-4,9,12,14H,5-8H2,1H3,(H,15,16)/p+1
InChIKeyHGTATXAWYLEONS-UHFFFAOYSA-O
XLogP0.45
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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3-methyl-N-(3-methylcyclopentyl)benzamide
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3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide
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3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
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3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
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3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 17249825
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3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-piperidin-1-ium-4-ylbenzamide?
The IUPAC name of 3-methyl-N-piperidin-1-ium-4-ylbenzamide (CID 7412122) is 3-methyl-N-piperidin-1-ium-4-ylbenzamide.
What is the SMILES notation for 3-methyl-N-piperidin-1-ium-4-ylbenzamide?
The canonical SMILES for 3-methyl-N-piperidin-1-ium-4-ylbenzamide is Cc1cccc(C(=O)NC2CC[NH2+]CC2)c1.
What is the InChIKey of 3-methyl-N-piperidin-1-ium-4-ylbenzamide?
The InChIKey is HGTATXAWYLEONS-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18N2O/c1-10-3-2-4-11(9-10)13(16)15-12-5-7-14-8-6-12/h2-4,9,12,14H,5-8H2,1H3,(H,15,16)/p+1.
What are the key properties of 3-methyl-N-piperidin-1-ium-4-ylbenzamide?
3-methyl-N-piperidin-1-ium-4-ylbenzamide has a molecular weight of 219.31 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-piperidin-1-ium-4-ylbenzamide is sourced from PubChem (CID 7412122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).