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

C14H20ClN3O — CID 63265586

IUPAC3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
SMILESCN(CCN1CCNCC1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN3O/c1-17(9-10-18-7-5-16-6-8-18)14(19)12-3-2-4-13(15)11-12/h2-4,11,16H,5-10H2,1H3
InChIKeyMWSXYXDNWYDXEK-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.32
Rot. Bonds4

About 3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide

3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 63265586) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID63265586
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
SMILESCN(CCN1CCNCC1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN3O/c1-17(9-10-18-7-5-16-6-8-18)14(19)12-3-2-4-13(15)11-12/h2-4,11,16H,5-10H2,1H3
InChIKeyMWSXYXDNWYDXEK-UHFFFAOYSA-N
XLogP1.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265460
N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 63265506
2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265748
2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 114345025
3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide
CID 50779613
2,4-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265416
2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81477116
3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
CID 119394571
N-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide
CID 55168297
3-chloro-N,4-dimethyl-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 103403645
2-(4-chlorophenoxy)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide
CID 63265704
2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 62048123

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide (CID 63265586) is 3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide is CN(CCN1CCNCC1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is MWSXYXDNWYDXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-17(9-10-18-7-5-16-6-8-18)14(19)12-3-2-4-13(15)11-12/h2-4,11,16H,5-10H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide?
3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 281.79 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 63265586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).