N-(5-chloro-6-piperazin-1-yl-3-pyridinyl)acetamide;hydrochloride

C11H16Cl2N4O — CID 166485301

IUPACN-(5-chloro-6-piperazin-1-yl-3-pyridinyl)acetamide;hydrochloride
SMILESCC(=O)Nc1cnc(N2CCNCC2)c(Cl)c1.Cl
InChIInChI=1S/C11H15ClN4O.ClH/c1-8(17)15-9-6-10(12)11(14-7-9)16-4-2-13-3-5-16;/h6-7,13H,2-5H2,1H3,(H,15,17);1H
InChIKeyOAORPCOXULJVQN-UHFFFAOYSA-N
MW291.18 g/mol
LogP1.52
Rot. Bonds2

About N-(5-chloro-6-piperazin-1-yl-3-pyridinyl)acetamide;hydrochloride

N-(5-chloro-6-piperazin-1-yl-3-pyridinyl)acetamide;hydrochloride (PubChem CID 166485301) has the molecular formula C11H16Cl2N4O and a molecular weight of 291.18 g/mol. Its IUPAC name is N-(5-chloro-6-piperazin-1-yl-3-pyridinyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(5-chloro-6-piperazin-1-yl-3-pyridinyl)acetamide;hydrochloride
PubChem CID166485301
Molecular FormulaC11H16Cl2N4O
Molecular Weight291.18 g/mol
Exact Mass290.07
IUPAC NameN-(5-chloro-6-piperazin-1-yl-3-pyridinyl)acetamide;hydrochloride
SMILESCC(=O)Nc1cnc(N2CCNCC2)c(Cl)c1.Cl
InChIInChI=1S/C11H15ClN4O.ClH/c1-8(17)15-9-6-10(12)11(14-7-9)16-4-2-13-3-5-16;/h6-7,13H,2-5H2,1H3,(H,15,17);1H
InChIKeyOAORPCOXULJVQN-UHFFFAOYSA-N
XLogP1.52
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-piperazin-1-yl-3-pyridinyl)acetamide;hydrochloride?
The IUPAC name of N-(5-chloro-6-piperazin-1-yl-3-pyridinyl)acetamide;hydrochloride (CID 166485301) is N-(5-chloro-6-piperazin-1-yl-3-pyridinyl)acetamide;hydrochloride.
What is the SMILES notation for N-(5-chloro-6-piperazin-1-yl-3-pyridinyl)acetamide;hydrochloride?
The canonical SMILES for N-(5-chloro-6-piperazin-1-yl-3-pyridinyl)acetamide;hydrochloride is CC(=O)Nc1cnc(N2CCNCC2)c(Cl)c1.Cl.
What is the InChIKey of N-(5-chloro-6-piperazin-1-yl-3-pyridinyl)acetamide;hydrochloride?
The InChIKey is OAORPCOXULJVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O.ClH/c1-8(17)15-9-6-10(12)11(14-7-9)16-4-2-13-3-5-16;/h6-7,13H,2-5H2,1H3,(H,15,17);1H.
What are the key properties of N-(5-chloro-6-piperazin-1-yl-3-pyridinyl)acetamide;hydrochloride?
N-(5-chloro-6-piperazin-1-yl-3-pyridinyl)acetamide;hydrochloride has a molecular weight of 291.18 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-6-piperazin-1-yl-3-pyridinyl)acetamide;hydrochloride is sourced from PubChem (CID 166485301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).