N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide

C19H22ClN3O — CID 120771028

IUPACN-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCNCC1c1cccc(Cl)c1)NCc1ccccc1
InChIInChI=1S/C19H22ClN3O/c20-17-8-4-7-16(11-17)18-13-21-9-10-23(18)14-19(24)22-12-15-5-2-1-3-6-15/h1-8,11,18,21H,9-10,12-14H2,(H,22,24)
InChIKeyLKLRIWRDPGHVNJ-UHFFFAOYSA-N
MW343.86 g/mol
LogP2.60
Rot. Bonds5

About N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide

N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide (PubChem CID 120771028) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
PubChem CID120771028
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCNCC1c1cccc(Cl)c1)NCc1ccccc1
InChIInChI=1S/C19H22ClN3O/c20-17-8-4-7-16(11-17)18-13-21-9-10-23(18)14-19(24)22-12-15-5-2-1-3-6-15/h1-8,11,18,21H,9-10,12-14H2,(H,22,24)
InChIKeyLKLRIWRDPGHVNJ-UHFFFAOYSA-N
XLogP2.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756501
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 120771238
N-benzyl-2-[2-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 120757524
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 120770787
N-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120770817
N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755244
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120770889
4-[[[2-(3-chlorophenyl)piperazine-1-carbonyl]amino]methyl]benzoic acid;hydrochloride
CID 134584435
N-(2-acetylphenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120771171
2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 120770920
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 120771204
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 120770996

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide (CID 120771028) is N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide is O=C(CN1CCNCC1c1cccc(Cl)c1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide?
The InChIKey is LKLRIWRDPGHVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-17-8-4-7-16(11-17)18-13-21-9-10-23(18)14-19(24)22-12-15-5-2-1-3-6-15/h1-8,11,18,21H,9-10,12-14H2,(H,22,24).
What are the key properties of N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide?
N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide has a molecular weight of 343.86 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 120771028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).