N-methyl-N-(2-piperazin-1-ylethyl)benzamide

C14H21N3O — CID 63265460

IUPACN-methyl-N-(2-piperazin-1-ylethyl)benzamide
SMILESCN(CCN1CCNCC1)C(=O)c1ccccc1
InChIInChI=1S/C14H21N3O/c1-16(11-12-17-9-7-15-8-10-17)14(18)13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3
InChIKeyBLZYHMIFQZPRFD-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.66
Rot. Bonds4

About N-methyl-N-(2-piperazin-1-ylethyl)benzamide

N-methyl-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 63265460) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-methyl-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID63265460
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-methyl-N-(2-piperazin-1-ylethyl)benzamide
SMILESCN(CCN1CCNCC1)C(=O)c1ccccc1
InChIInChI=1S/C14H21N3O/c1-16(11-12-17-9-7-15-8-10-17)14(18)13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3
InChIKeyBLZYHMIFQZPRFD-UHFFFAOYSA-N
XLogP0.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 63265506
3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265586
2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 114345025
2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265748
2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81477116
N-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide
CID 55168297
N-methyl-N-(2-piperazin-1-ylethyl)-1H-indazole-3-carboxamide
CID 63265749
N-methyl-N-(2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide
CID 63265449
N-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 67379055
2,4-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265416
N,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 63265503
1-(2,2-difluoroethyl)-N-methyl-N-(2-piperazin-1-ylethyl)pyrrole-2-carboxamide
CID 114610245

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)benzamide (CID 63265460) is N-methyl-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for N-methyl-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for N-methyl-N-(2-piperazin-1-ylethyl)benzamide is CN(CCN1CCNCC1)C(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is BLZYHMIFQZPRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16(11-12-17-9-7-15-8-10-17)14(18)13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3.
What are the key properties of N-methyl-N-(2-piperazin-1-ylethyl)benzamide?
N-methyl-N-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 247.34 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 63265460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).