2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide

C19H22ClN3O — CID 6466210

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C19H22ClN3O/c1-15-3-2-4-17(13-15)21-19(24)14-22-9-11-23(12-10-22)18-7-5-16(20)6-8-18/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyHUJHFKJLLTWMDJ-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.41
Rot. Bonds4

About 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 6466210) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID6466210
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C19H22ClN3O/c1-15-3-2-4-17(13-15)21-19(24)14-22-9-11-23(12-10-22)18-7-5-16(20)6-8-18/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyHUJHFKJLLTWMDJ-UHFFFAOYSA-N
XLogP3.41
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 42858886
4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 851976
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 18124601
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 18124603
N-(5-chloro-2-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731945
N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 131897568
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 22198476
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
N-(4-chlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 60504794
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide
CID 2574328

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide (CID 6466210) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is HUJHFKJLLTWMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-15-3-2-4-17(13-15)21-19(24)14-22-9-11-23(12-10-22)18-7-5-16(20)6-8-18/h2-8,13H,9-12,14H2,1H3,(H,21,24).
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 343.86 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 6466210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).