2-[2-(2-chlorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide

C15H22ClN3O — CID 120757474

IUPAC2-[2-(2-chlorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCNCC1c1ccccc1Cl
InChIInChI=1S/C15H22ClN3O/c1-11(2)18-15(20)10-19-8-7-17-9-14(19)12-5-3-4-6-13(12)16/h3-6,11,14,17H,7-10H2,1-2H3,(H,18,20)
InChIKeyZGOCCKCBZQLCLD-UHFFFAOYSA-N
MW295.81 g/mol
LogP1.81
Rot. Bonds4

About 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide

2-[2-(2-chlorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 120757474) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID120757474
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-[2-(2-chlorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCNCC1c1ccccc1Cl
InChIInChI=1S/C15H22ClN3O/c1-11(2)18-15(20)10-19-8-7-17-9-14(19)12-5-3-4-6-13(12)16/h3-6,11,14,17H,7-10H2,1-2H3,(H,18,20)
InChIKeyZGOCCKCBZQLCLD-UHFFFAOYSA-N
XLogP1.81
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120757480
N-(4-acetamidophenyl)-2-[2-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 120757424
N-benzyl-2-[2-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 120757524
2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 120757638
N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753217
2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 120757432
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 120753177
N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120768769
N-(2-chlorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120754125
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
CID 120753875
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 120739628

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide (CID 120757474) is 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCNCC1c1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is ZGOCCKCBZQLCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-11(2)18-15(20)10-19-8-7-17-9-14(19)12-5-3-4-6-13(12)16/h3-6,11,14,17H,7-10H2,1-2H3,(H,18,20).
What are the key properties of 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide?
2-[2-(2-chlorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 295.81 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 120757474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).