N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-3-phenylmethoxybenzamide;hydrochloride

C21H26ClN3O3 — CID 119454800

IUPACN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-3-phenylmethoxybenzamide;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)C(=O)c1cccc(OCc2ccccc2)c1.Cl
InChIInChI=1S/C21H25N3O3.ClH/c1-23(15-20(25)24-12-10-22-11-13-24)21(26)18-8-5-9-19(14-18)27-16-17-6-3-2-4-7-17;/h2-9,14,22H,10-13,15-16H2,1H3;1H
InChIKeySSODQUCOFGTTAX-UHFFFAOYSA-N
MW403.91 g/mol
LogP2.19
Rot. Bonds6

About N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-3-phenylmethoxybenzamide;hydrochloride

N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-3-phenylmethoxybenzamide;hydrochloride (PubChem CID 119454800) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-3-phenylmethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-3-phenylmethoxybenzamide;hydrochloride
PubChem CID119454800
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC NameN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-3-phenylmethoxybenzamide;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)C(=O)c1cccc(OCc2ccccc2)c1.Cl
InChIInChI=1S/C21H25N3O3.ClH/c1-23(15-20(25)24-12-10-22-11-13-24)21(26)18-8-5-9-19(14-18)27-16-17-6-3-2-4-7-17;/h2-9,14,22H,10-13,15-16H2,1H3;1H
InChIKeySSODQUCOFGTTAX-UHFFFAOYSA-N
XLogP2.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454797
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 43603186
N,N-dimethyl-3-(2-oxo-2-piperazin-1-ylethoxy)benzamide
CID 28916795
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454852
4-ethyl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454501
3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
CID 167758770
3-(dimethylamino)-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 20934294
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 119401548
3-bromo-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454891
4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454573
N-[(2-fluorophenyl)methyl]-N-methyl-3-phenylmethoxybenzamide
CID 30253357

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-3-phenylmethoxybenzamide;hydrochloride?
The IUPAC name of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-3-phenylmethoxybenzamide;hydrochloride (CID 119454800) is N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-3-phenylmethoxybenzamide;hydrochloride.
What is the SMILES notation for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-3-phenylmethoxybenzamide;hydrochloride?
The canonical SMILES for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-3-phenylmethoxybenzamide;hydrochloride is CN(CC(=O)N1CCNCC1)C(=O)c1cccc(OCc2ccccc2)c1.Cl.
What is the InChIKey of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-3-phenylmethoxybenzamide;hydrochloride?
The InChIKey is SSODQUCOFGTTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3.ClH/c1-23(15-20(25)24-12-10-22-11-13-24)21(26)18-8-5-9-19(14-18)27-16-17-6-3-2-4-7-17;/h2-9,14,22H,10-13,15-16H2,1H3;1H.
What are the key properties of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-3-phenylmethoxybenzamide;hydrochloride?
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-3-phenylmethoxybenzamide;hydrochloride has a molecular weight of 403.91 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-3-phenylmethoxybenzamide;hydrochloride is sourced from PubChem (CID 119454800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).