N,N-dimethyl-3-(2-oxo-2-piperazin-1-ylethoxy)benzamide

C15H21N3O3 — CID 28916795

IUPACN,N-dimethyl-3-(2-oxo-2-piperazin-1-ylethoxy)benzamide
SMILESCN(C)C(=O)c1cccc(OCC(=O)N2CCNCC2)c1
InChIInChI=1S/C15H21N3O3/c1-17(2)15(20)12-4-3-5-13(10-12)21-11-14(19)18-8-6-16-7-9-18/h3-5,10,16H,6-9,11H2,1-2H3
InChIKeyPPTGYUGFQFSDJL-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.20
Rot. Bonds4

About N,N-dimethyl-3-(2-oxo-2-piperazin-1-ylethoxy)benzamide

N,N-dimethyl-3-(2-oxo-2-piperazin-1-ylethoxy)benzamide (PubChem CID 28916795) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-oxo-2-piperazin-1-ylethoxy)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-oxo-2-piperazin-1-ylethoxy)benzamide
PubChem CID28916795
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN,N-dimethyl-3-(2-oxo-2-piperazin-1-ylethoxy)benzamide
SMILESCN(C)C(=O)c1cccc(OCC(=O)N2CCNCC2)c1
InChIInChI=1S/C15H21N3O3/c1-17(2)15(20)12-4-3-5-13(10-12)21-11-14(19)18-8-6-16-7-9-18/h3-5,10,16H,6-9,11H2,1-2H3
InChIKeyPPTGYUGFQFSDJL-UHFFFAOYSA-N
XLogP0.20
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetylphenoxy)-1-(1,4-diazepan-1-yl)ethanone
CID 119417714
2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119402543
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-3-phenylmethoxybenzamide;hydrochloride
CID 119454800
1-(1,4-diazepan-1-yl)-2-(3-methoxyphenoxy)ethanone;hydrochloride
CID 119414905
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate
CID 112786434
4-(2-oxo-2-piperazin-1-ylethoxy)benzoic acid
CID 82147640
3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402035
2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
CID 685737
1-(1,4-diazepan-1-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 119415304
3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 2759326

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-oxo-2-piperazin-1-ylethoxy)benzamide?
The IUPAC name of N,N-dimethyl-3-(2-oxo-2-piperazin-1-ylethoxy)benzamide (CID 28916795) is N,N-dimethyl-3-(2-oxo-2-piperazin-1-ylethoxy)benzamide.
What is the SMILES notation for N,N-dimethyl-3-(2-oxo-2-piperazin-1-ylethoxy)benzamide?
The canonical SMILES for N,N-dimethyl-3-(2-oxo-2-piperazin-1-ylethoxy)benzamide is CN(C)C(=O)c1cccc(OCC(=O)N2CCNCC2)c1.
What is the InChIKey of N,N-dimethyl-3-(2-oxo-2-piperazin-1-ylethoxy)benzamide?
The InChIKey is PPTGYUGFQFSDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17(2)15(20)12-4-3-5-13(10-12)21-11-14(19)18-8-6-16-7-9-18/h3-5,10,16H,6-9,11H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(2-oxo-2-piperazin-1-ylethoxy)benzamide?
N,N-dimethyl-3-(2-oxo-2-piperazin-1-ylethoxy)benzamide has a molecular weight of 291.35 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-oxo-2-piperazin-1-ylethoxy)benzamide is sourced from PubChem (CID 28916795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).