2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide

C17H19ClN4O2 — CID 135126579

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide
SMILESO=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(O)cn1
InChIInChI=1S/C17H19ClN4O2/c18-13-1-3-14(4-2-13)22-9-7-21(8-10-22)12-17(24)20-16-6-5-15(23)11-19-16/h1-6,11,23H,7-10,12H2,(H,19,20,24)
InChIKeyIDSWSQKJMKXHKQ-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.20
Rot. Bonds4

About 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide (PubChem CID 135126579) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide
PubChem CID135126579
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide
SMILESO=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(O)cn1
InChIInChI=1S/C17H19ClN4O2/c18-13-1-3-14(4-2-13)22-9-7-21(8-10-22)12-17(24)20-16-6-5-15(23)11-19-16/h1-6,11,23H,7-10,12H2,(H,19,20,24)
InChIKeyIDSWSQKJMKXHKQ-UHFFFAOYSA-N
XLogP2.20
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide (CID 135126579) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide is O=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(O)cn1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide?
The InChIKey is IDSWSQKJMKXHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-13-1-3-14(4-2-13)22-9-7-21(8-10-22)12-17(24)20-16-6-5-15(23)11-19-16/h1-6,11,23H,7-10,12H2,(H,19,20,24).
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide?
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide has a molecular weight of 346.82 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide is sourced from PubChem (CID 135126579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).