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

C19H22ClN3O2 — CID 3238294

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22ClN3O2/c1-25-18-5-3-2-4-17(18)21-19(24)14-22-10-12-23(13-11-22)16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyBXJBGRPTICYMQE-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.11
Rot. Bonds5

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

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 3238294) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID3238294
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22ClN3O2/c1-25-18-5-3-2-4-17(18)21-19(24)14-22-10-12-23(13-11-22)16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyBXJBGRPTICYMQE-UHFFFAOYSA-N
XLogP3.11
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide (CID 3238294) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is BXJBGRPTICYMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-25-18-5-3-2-4-17(18)21-19(24)14-22-10-12-23(13-11-22)16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3,(H,21,24).
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 359.86 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 3238294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).