N-[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide

C15H21N3O2 — CID 110741126

IUPACN-[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide
SMILESCC1CN(C)CCN1C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C15H21N3O2/c1-12-11-17(2)8-9-18(12)14(19)10-16-15(20)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,16,20)
InChIKeyHXCMUXBPYJIJQQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.58
Rot. Bonds3

About N-[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide

N-[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide (PubChem CID 110741126) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide
PubChem CID110741126
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide
SMILESCC1CN(C)CCN1C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C15H21N3O2/c1-12-11-17(2)8-9-18(12)14(19)10-16-15(20)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,16,20)
InChIKeyHXCMUXBPYJIJQQ-UHFFFAOYSA-N
XLogP0.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Benzoylpiperidine
CID 69892
N-Propylbenzamide
CID 25354
N-benzoylglycinate
CID 4402710
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
AR-M1000390
CID 9841259
N-Ethylbenzamide
CID 11959
N,N'-dibenzoylpiperazine
CID 80185
N-Butylbenzamide
CID 76024
1-Benzoylpiperazine
CID 762654
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide (CID 110741126) is N-[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide is CC1CN(C)CCN1C(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is HXCMUXBPYJIJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12-11-17(2)8-9-18(12)14(19)10-16-15(20)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,16,20).
What are the key properties of N-[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide?
N-[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 275.35 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 110741126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).