2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide

C19H21Cl2N3O — CID 2697466

IUPAC2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H21Cl2N3O/c20-16-7-4-8-17(21)19(16)22-18(25)14-24-11-9-23(10-12-24)13-15-5-2-1-3-6-15/h1-8H,9-14H2,(H,22,25)
InChIKeyIDORAEULATXBGS-UHFFFAOYSA-N
MW378.30 g/mol
LogP3.75
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide

2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide (PubChem CID 2697466) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide
PubChem CID2697466
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H21Cl2N3O/c20-16-7-4-8-17(21)19(16)22-18(25)14-24-11-9-23(10-12-24)13-15-5-2-1-3-6-15/h1-8H,9-14H2,(H,22,25)
InChIKeyIDORAEULATXBGS-UHFFFAOYSA-N
XLogP3.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide
CID 17487617
N-(2,6-dichlorophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 46666961
3-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 24596426
N-cyclopropyl-2-[4-[2-(2,6-dichloroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30740870
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 39782572
N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide
CID 29161558
2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 30863583
2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 22195654
N-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3910808
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832627
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide (CID 2697466) is 2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide?
The InChIKey is IDORAEULATXBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c20-16-7-4-8-17(21)19(16)22-18(25)14-24-11-9-23(10-12-24)13-15-5-2-1-3-6-15/h1-8H,9-14H2,(H,22,25).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide?
2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide has a molecular weight of 378.30 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 2697466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).