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

C16H18Cl2N4OS — CID 8710481

IUPACN-(2-chloro-3-pyridinyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccc(Cl)s2)CC1)Nc1cccnc1Cl
InChIInChI=1S/C16H18Cl2N4OS/c17-14-4-3-12(24-14)10-21-6-8-22(9-7-21)11-15(23)20-13-2-1-5-19-16(13)18/h1-5H,6-11H2,(H,20,23)
InChIKeyLREALVFLJROCTH-UHFFFAOYSA-N
MW385.32 g/mol
LogP3.21
Rot. Bonds5

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

N-(2-chloro-3-pyridinyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 8710481) has the molecular formula C16H18Cl2N4OS and a molecular weight of 385.32 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide
PubChem CID8710481
Molecular FormulaC16H18Cl2N4OS
Molecular Weight385.32 g/mol
Exact Mass384.06
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccc(Cl)s2)CC1)Nc1cccnc1Cl
InChIInChI=1S/C16H18Cl2N4OS/c17-14-4-3-12(24-14)10-21-6-8-22(9-7-21)11-15(23)20-13-2-1-5-19-16(13)18/h1-5H,6-11H2,(H,20,23)
InChIKeyLREALVFLJROCTH-UHFFFAOYSA-N
XLogP3.21
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9262048
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30962910
N-(2-chloro-3-pyridinyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 34932524
ethyl 2-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]benzoate
CID 9262168
N-(2-chloro-3-pyridinyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968065
2-[4-(2-adamantyl)piperazin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 17276225
N-(2-chloro-3-pyridinyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81490607
N-butan-2-yl-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide
CID 47007098
N-(2-chloro-3-pyridinyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681343
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9262222
N-[1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 16580767
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 9262254

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide (CID 8710481) is N-(2-chloro-3-pyridinyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2ccc(Cl)s2)CC1)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is LREALVFLJROCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4OS/c17-14-4-3-12(24-14)10-21-6-8-22(9-7-21)11-15(23)20-13-2-1-5-19-16(13)18/h1-5H,6-11H2,(H,20,23).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide?
N-(2-chloro-3-pyridinyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 385.32 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8710481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).