N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide

C16H22N2O3 — CID 110878722

IUPACN-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C16H22N2O3/c1-11-7-12(2)9-13(8-11)16(21)17-10-15(20)18-5-3-14(19)4-6-18/h7-9,14,19H,3-6,10H2,1-2H3,(H,17,21)
InChIKeyCICWIUQRHZSTMA-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.02
Rot. Bonds3

About N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 110878722) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID110878722
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C16H22N2O3/c1-11-7-12(2)9-13(8-11)16(21)17-10-15(20)18-5-3-14(19)4-6-18/h7-9,14,19H,3-6,10H2,1-2H3,(H,17,21)
InChIKeyCICWIUQRHZSTMA-UHFFFAOYSA-N
XLogP1.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide
CID 43391737
3,5-dimethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 2095565
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide
CID 43002406
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-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,5-dimethylbenzamide
CID 46652197
3,5-dimethyl-N-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]benzamide
CID 55836947
3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 115736842
3,5-dimethyl-N-[2-oxo-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethyl]benzamide
CID 120824090
N-[2-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 154839761
3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 51093731
N-[2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3,5-dimethylbenzamide
CID 99700393

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide (CID 110878722) is N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC(=O)N2CCC(O)CC2)c1.
What is the InChIKey of N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is CICWIUQRHZSTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-7-12(2)9-13(8-11)16(21)17-10-15(20)18-5-3-14(19)4-6-18/h7-9,14,19H,3-6,10H2,1-2H3,(H,17,21).
What are the key properties of N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 290.36 g/mol, XLogP of 1.02, 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]-3,5-dimethylbenzamide is sourced from PubChem (CID 110878722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).