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

C15H22N2O — CID 10467118

IUPAC3-[(3S)-1-propylpiperidin-3-yl]benzamide
SMILESCCCN1CCC[C@@H](c2cccc(C(N)=O)c2)C1
InChIInChI=1S/C15H22N2O/c1-2-8-17-9-4-7-14(11-17)12-5-3-6-13(10-12)15(16)18/h3,5-6,10,14H,2,4,7-9,11H2,1H3,(H2,16,18)/t14-/m1/s1
InChIKeyCJCQHAUDAPOVBD-CQSZACIVSA-N
MW246.35 g/mol
LogP2.37
Rot. Bonds4

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

3-[(3S)-1-propylpiperidin-3-yl]benzamide (PubChem CID 10467118) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[(3S)-1-propylpiperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-[(3S)-1-propylpiperidin-3-yl]benzamide
PubChem CID10467118
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-[(3S)-1-propylpiperidin-3-yl]benzamide
SMILESCCCN1CCC[C@@H](c2cccc(C(N)=O)c2)C1
InChIInChI=1S/C15H22N2O/c1-2-8-17-9-4-7-14(11-17)12-5-3-6-13(10-12)15(16)18/h3,5-6,10,14H,2,4,7-9,11H2,1H3,(H2,16,18)/t14-/m1/s1
InChIKeyCJCQHAUDAPOVBD-CQSZACIVSA-N
XLogP2.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-propylpiperidin-3-yl]benzamide?
The IUPAC name of 3-[(3S)-1-propylpiperidin-3-yl]benzamide (CID 10467118) is 3-[(3S)-1-propylpiperidin-3-yl]benzamide.
What is the SMILES notation for 3-[(3S)-1-propylpiperidin-3-yl]benzamide?
The canonical SMILES for 3-[(3S)-1-propylpiperidin-3-yl]benzamide is CCCN1CCC[C@@H](c2cccc(C(N)=O)c2)C1.
What is the InChIKey of 3-[(3S)-1-propylpiperidin-3-yl]benzamide?
The InChIKey is CJCQHAUDAPOVBD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-8-17-9-4-7-14(11-17)12-5-3-6-13(10-12)15(16)18/h3,5-6,10,14H,2,4,7-9,11H2,1H3,(H2,16,18)/t14-/m1/s1.
What are the key properties of 3-[(3S)-1-propylpiperidin-3-yl]benzamide?
3-[(3S)-1-propylpiperidin-3-yl]benzamide has a molecular weight of 246.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-propylpiperidin-3-yl]benzamide is sourced from PubChem (CID 10467118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).