4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]benzamide

C15H20N2O2 — CID 163896272

IUPAC4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]benzamide
SMILESCN1CCC(C(=O)Cc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C15H20N2O2/c1-17-8-6-12(7-9-17)14(18)10-11-2-4-13(5-3-11)15(16)19/h2-5,12H,6-10H2,1H3,(H2,16,19)
InChIKeyQFWYNUUTWDSVRA-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.24
Rot. Bonds4

About 4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]benzamide

4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]benzamide (PubChem CID 163896272) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]benzamide
PubChem CID163896272
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]benzamide
SMILESCN1CCC(C(=O)Cc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C15H20N2O2/c1-17-8-6-12(7-9-17)14(18)10-11-2-4-13(5-3-11)15(16)19/h2-5,12H,6-10H2,1H3,(H2,16,19)
InChIKeyQFWYNUUTWDSVRA-UHFFFAOYSA-N
XLogP1.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]benzamide?
The IUPAC name of 4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]benzamide (CID 163896272) is 4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]benzamide is CN1CCC(C(=O)Cc2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]benzamide?
The InChIKey is QFWYNUUTWDSVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17-8-6-12(7-9-17)14(18)10-11-2-4-13(5-3-11)15(16)19/h2-5,12H,6-10H2,1H3,(H2,16,19).
What are the key properties of 4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]benzamide?
4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]benzamide has a molecular weight of 260.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 163896272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).