3-[(3S)-1-methylpiperidin-3-yl]benzamide

C13H18N2O — CID 22856989

IUPAC3-[(3S)-1-methylpiperidin-3-yl]benzamide
SMILESCN1CCC[C@@H](c2cccc(C(N)=O)c2)C1
InChIInChI=1S/C13H18N2O/c1-15-7-3-6-12(9-15)10-4-2-5-11(8-10)13(14)16/h2,4-5,8,12H,3,6-7,9H2,1H3,(H2,14,16)/t12-/m1/s1
InChIKeyDOLCQHJHQLCWRR-GFCCVEGCSA-N
MW218.30 g/mol
LogP1.59
Rot. Bonds2

About 3-[(3S)-1-methylpiperidin-3-yl]benzamide

3-[(3S)-1-methylpiperidin-3-yl]benzamide (PubChem CID 22856989) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[(3S)-1-methylpiperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-[(3S)-1-methylpiperidin-3-yl]benzamide
PubChem CID22856989
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-[(3S)-1-methylpiperidin-3-yl]benzamide
SMILESCN1CCC[C@@H](c2cccc(C(N)=O)c2)C1
InChIInChI=1S/C13H18N2O/c1-15-7-3-6-12(9-15)10-4-2-5-11(8-10)13(14)16/h2,4-5,8,12H,3,6-7,9H2,1H3,(H2,14,16)/t12-/m1/s1
InChIKeyDOLCQHJHQLCWRR-GFCCVEGCSA-N
XLogP1.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-methylpiperidin-3-yl]benzamide?
The IUPAC name of 3-[(3S)-1-methylpiperidin-3-yl]benzamide (CID 22856989) is 3-[(3S)-1-methylpiperidin-3-yl]benzamide.
What is the SMILES notation for 3-[(3S)-1-methylpiperidin-3-yl]benzamide?
The canonical SMILES for 3-[(3S)-1-methylpiperidin-3-yl]benzamide is CN1CCC[C@@H](c2cccc(C(N)=O)c2)C1.
What is the InChIKey of 3-[(3S)-1-methylpiperidin-3-yl]benzamide?
The InChIKey is DOLCQHJHQLCWRR-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15-7-3-6-12(9-15)10-4-2-5-11(8-10)13(14)16/h2,4-5,8,12H,3,6-7,9H2,1H3,(H2,14,16)/t12-/m1/s1.
What are the key properties of 3-[(3S)-1-methylpiperidin-3-yl]benzamide?
3-[(3S)-1-methylpiperidin-3-yl]benzamide has a molecular weight of 218.30 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-methylpiperidin-3-yl]benzamide is sourced from PubChem (CID 22856989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).