N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide

C15H20N2O3 — CID 43391737

IUPACN-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C15H20N2O3/c1-11-2-4-12(5-3-11)15(20)16-10-14(19)17-8-6-13(18)7-9-17/h2-5,13,18H,6-10H2,1H3,(H,16,20)
InChIKeyZRHMWDAHNKLKAU-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.71
Rot. Bonds3

About N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide

N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide (PubChem CID 43391737) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide
PubChem CID43391737
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C15H20N2O3/c1-11-2-4-12(5-3-11)15(20)16-10-14(19)17-8-6-13(18)7-9-17/h2-5,13,18H,6-10H2,1H3,(H,16,20)
InChIKeyZRHMWDAHNKLKAU-UHFFFAOYSA-N
XLogP0.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide
CID 110878722
4-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 43391762
3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 110901522
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 43403363
4-methyl-N-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]benzamide
CID 46673862
N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108543980
N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 102737920
N-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 50823425
N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110743431
4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958174
N-[2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60574366
N-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110745924

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide (CID 43391737) is N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(=O)N2CCC(O)CC2)cc1.
What is the InChIKey of N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide?
The InChIKey is ZRHMWDAHNKLKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-2-4-12(5-3-11)15(20)16-10-14(19)17-8-6-13(18)7-9-17/h2-5,13,18H,6-10H2,1H3,(H,16,20).
What are the key properties of N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide?
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide has a molecular weight of 276.34 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 43391737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).