4-(4-hydroxypiperidin-1-yl)-N-(1-propylpiperidin-4-yl)benzamide

C20H31N3O2 — CID 111331639

IUPAC4-(4-hydroxypiperidin-1-yl)-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2ccc(N3CCC(O)CC3)cc2)CC1
InChIInChI=1S/C20H31N3O2/c1-2-11-22-12-7-17(8-13-22)21-20(25)16-3-5-18(6-4-16)23-14-9-19(24)10-15-23/h3-6,17,19,24H,2,7-15H2,1H3,(H,21,25)
InChIKeyYXBJFNCPUDMUEP-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.25
Rot. Bonds5

About 4-(4-hydroxypiperidin-1-yl)-N-(1-propylpiperidin-4-yl)benzamide

4-(4-hydroxypiperidin-1-yl)-N-(1-propylpiperidin-4-yl)benzamide (PubChem CID 111331639) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)-N-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)-N-(1-propylpiperidin-4-yl)benzamide
PubChem CID111331639
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name4-(4-hydroxypiperidin-1-yl)-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2ccc(N3CCC(O)CC3)cc2)CC1
InChIInChI=1S/C20H31N3O2/c1-2-11-22-12-7-17(8-13-22)21-20(25)16-3-5-18(6-4-16)23-14-9-19(24)10-15-23/h3-6,17,19,24H,2,7-15H2,1H3,(H,21,25)
InChIKeyYXBJFNCPUDMUEP-UHFFFAOYSA-N
XLogP2.25
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-(1-propylpiperidin-4-yl)benzamide?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-(1-propylpiperidin-4-yl)benzamide (CID 111331639) is 4-(4-hydroxypiperidin-1-yl)-N-(1-propylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)-N-(1-propylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)-N-(1-propylpiperidin-4-yl)benzamide is CCCN1CCC(NC(=O)c2ccc(N3CCC(O)CC3)cc2)CC1.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)-N-(1-propylpiperidin-4-yl)benzamide?
The InChIKey is YXBJFNCPUDMUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-2-11-22-12-7-17(8-13-22)21-20(25)16-3-5-18(6-4-16)23-14-9-19(24)10-15-23/h3-6,17,19,24H,2,7-15H2,1H3,(H,21,25).
What are the key properties of 4-(4-hydroxypiperidin-1-yl)-N-(1-propylpiperidin-4-yl)benzamide?
4-(4-hydroxypiperidin-1-yl)-N-(1-propylpiperidin-4-yl)benzamide has a molecular weight of 345.49 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)-N-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 111331639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).