2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide

C19H23ClN4O — CID 155516494

IUPAC2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN2CCN(c3ccc(Cl)cn3)CC2)c1
InChIInChI=1S/C19H23ClN4O/c1-2-15-4-3-5-17(12-15)22-19(25)14-23-8-10-24(11-9-23)18-7-6-16(20)13-21-18/h3-7,12-13H,2,8-11,14H2,1H3,(H,22,25)
InChIKeyMJNKHSYDQLOGOJ-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.06
Rot. Bonds5

About 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide

2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide (PubChem CID 155516494) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide
PubChem CID155516494
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN2CCN(c3ccc(Cl)cn3)CC2)c1
InChIInChI=1S/C19H23ClN4O/c1-2-15-4-3-5-17(12-15)22-19(25)14-23-8-10-24(11-9-23)18-7-6-16(20)13-21-18/h3-7,12-13H,2,8-11,14H2,1H3,(H,22,25)
InChIKeyMJNKHSYDQLOGOJ-UHFFFAOYSA-N
XLogP3.06
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide (CID 155516494) is 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)CN2CCN(c3ccc(Cl)cn3)CC2)c1.
What is the InChIKey of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide?
The InChIKey is MJNKHSYDQLOGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-2-15-4-3-5-17(12-15)22-19(25)14-23-8-10-24(11-9-23)18-7-6-16(20)13-21-18/h3-7,12-13H,2,8-11,14H2,1H3,(H,22,25).
What are the key properties of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide?
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide has a molecular weight of 358.87 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 155516494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).