4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide

C16H24N2O2 — CID 103951674

IUPAC4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2ccc(O)c(C)c2)CC1
InChIInChI=1S/C16H24N2O2/c1-3-8-18-9-6-14(7-10-18)17-16(20)13-4-5-15(19)12(2)11-13/h4-5,11,14,19H,3,6-10H2,1-2H3,(H,17,20)
InChIKeyUWNDDSGOYPGRJM-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.30
Rot. Bonds4

About 4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide

4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide (PubChem CID 103951674) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide
PubChem CID103951674
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2ccc(O)c(C)c2)CC1
InChIInChI=1S/C16H24N2O2/c1-3-8-18-9-6-14(7-10-18)17-16(20)13-4-5-15(19)12(2)11-13/h4-5,11,14,19H,3,6-10H2,1-2H3,(H,17,20)
InChIKeyUWNDDSGOYPGRJM-UHFFFAOYSA-N
XLogP2.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide?
The IUPAC name of 4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide (CID 103951674) is 4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide is CCCN1CCC(NC(=O)c2ccc(O)c(C)c2)CC1.
What is the InChIKey of 4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide?
The InChIKey is UWNDDSGOYPGRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-8-18-9-6-14(7-10-18)17-16(20)13-4-5-15(19)12(2)11-13/h4-5,11,14,19H,3,6-10H2,1-2H3,(H,17,20).
What are the key properties of 4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide?
4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 103951674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).