3-chloro-4-[piperidin-3-yl(propyl)amino]benzamide

C15H22ClN3O — CID 63636499

IUPAC3-chloro-4-[piperidin-3-yl(propyl)amino]benzamide
SMILESCCCN(c1ccc(C(N)=O)cc1Cl)C1CCCNC1
InChIInChI=1S/C15H22ClN3O/c1-2-8-19(12-4-3-7-18-10-12)14-6-5-11(15(17)20)9-13(14)16/h5-6,9,12,18H,2-4,7-8,10H2,1H3,(H2,17,20)
InChIKeyDONDFIKLBWPVDG-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.41
Rot. Bonds5

About 3-chloro-4-[piperidin-3-yl(propyl)amino]benzamide

3-chloro-4-[piperidin-3-yl(propyl)amino]benzamide (PubChem CID 63636499) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 3-chloro-4-[piperidin-3-yl(propyl)amino]benzamide.

Molecular Properties

Compound Name3-chloro-4-[piperidin-3-yl(propyl)amino]benzamide
PubChem CID63636499
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name3-chloro-4-[piperidin-3-yl(propyl)amino]benzamide
SMILESCCCN(c1ccc(C(N)=O)cc1Cl)C1CCCNC1
InChIInChI=1S/C15H22ClN3O/c1-2-8-19(12-4-3-7-18-10-12)14-6-5-11(15(17)20)9-13(14)16/h5-6,9,12,18H,2-4,7-8,10H2,1H3,(H2,17,20)
InChIKeyDONDFIKLBWPVDG-UHFFFAOYSA-N
XLogP2.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[piperidin-3-yl(propyl)amino]benzamide?
The IUPAC name of 3-chloro-4-[piperidin-3-yl(propyl)amino]benzamide (CID 63636499) is 3-chloro-4-[piperidin-3-yl(propyl)amino]benzamide.
What is the SMILES notation for 3-chloro-4-[piperidin-3-yl(propyl)amino]benzamide?
The canonical SMILES for 3-chloro-4-[piperidin-3-yl(propyl)amino]benzamide is CCCN(c1ccc(C(N)=O)cc1Cl)C1CCCNC1.
What is the InChIKey of 3-chloro-4-[piperidin-3-yl(propyl)amino]benzamide?
The InChIKey is DONDFIKLBWPVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-8-19(12-4-3-7-18-10-12)14-6-5-11(15(17)20)9-13(14)16/h5-6,9,12,18H,2-4,7-8,10H2,1H3,(H2,17,20).
What are the key properties of 3-chloro-4-[piperidin-3-yl(propyl)amino]benzamide?
3-chloro-4-[piperidin-3-yl(propyl)amino]benzamide has a molecular weight of 295.81 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[piperidin-3-yl(propyl)amino]benzamide is sourced from PubChem (CID 63636499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).