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

C18H21ClN4O — CID 155563301

IUPAC2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3ccc(Cl)cn3)CC2)c1
InChIInChI=1S/C18H21ClN4O/c1-14-3-2-4-16(11-14)21-18(24)13-22-7-9-23(10-8-22)17-6-5-15(19)12-20-17/h2-6,11-12H,7-10,13H2,1H3,(H,21,24)
InChIKeyLNXPXCVWRDGGAX-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.80
Rot. Bonds4

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

2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 155563301) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID155563301
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3ccc(Cl)cn3)CC2)c1
InChIInChI=1S/C18H21ClN4O/c1-14-3-2-4-16(11-14)21-18(24)13-22-7-9-23(10-8-22)17-6-5-15(19)12-20-17/h2-6,11-12H,7-10,13H2,1H3,(H,21,24)
InChIKeyLNXPXCVWRDGGAX-UHFFFAOYSA-N
XLogP2.80
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide (CID 155563301) is 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN2CCN(c3ccc(Cl)cn3)CC2)c1.
What is the InChIKey of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is LNXPXCVWRDGGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-14-3-2-4-16(11-14)21-18(24)13-22-7-9-23(10-8-22)17-6-5-15(19)12-20-17/h2-6,11-12H,7-10,13H2,1H3,(H,21,24).
What are the key properties of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 344.85 g/mol, XLogP of 2.80, 4 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-methylphenyl)acetamide is sourced from PubChem (CID 155563301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).