N-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide

C11H15ClN4O — CID 28881141

IUPACN-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H15ClN4O/c12-9-1-2-10(14-7-9)15-11(17)8-16-5-3-13-4-6-16/h1-2,7,13H,3-6,8H2,(H,14,15,17)
InChIKeySAVNFJOQKIEFQD-UHFFFAOYSA-N
MW254.72 g/mol
LogP0.58
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide

N-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide (PubChem CID 28881141) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide
PubChem CID28881141
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC NameN-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H15ClN4O/c12-9-1-2-10(14-7-9)15-11(17)8-16-5-3-13-4-6-16/h1-2,7,13H,3-6,8H2,(H,14,15,17)
InChIKeySAVNFJOQKIEFQD-UHFFFAOYSA-N
XLogP0.58
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 4692251
N-(5-chloro-2-pyridinyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110899282
N-(5-chloro-2-pyridinyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 17066612
N-(5-chloro-2-pyridinyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6467673
N-(5-chloro-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 17376167
N-(5-chloro-2-pyridinyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111332524
2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
CID 17270594
N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 94184594
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
CID 6467861
N-(5-chloro-2-pyridinyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride
CID 120982476
2-(4-benzoyl-1,4-diazepan-1-yl)-N-(5-chloro-2-pyridinyl)acetamide
CID 86923565
N-(5-chloro-2-pyridinyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198595

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide (CID 28881141) is N-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide is O=C(CN1CCNCC1)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide?
The InChIKey is SAVNFJOQKIEFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c12-9-1-2-10(14-7-9)15-11(17)8-16-5-3-13-4-6-16/h1-2,7,13H,3-6,8H2,(H,14,15,17).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide?
N-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide has a molecular weight of 254.72 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 28881141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).