1-(4-acetylpiperazin-1-yl)-2-[(5-chloro-2-pyridinyl)-methylamino]ethanone

C14H19ClN4O2 — CID 56814445

IUPAC1-(4-acetylpiperazin-1-yl)-2-[(5-chloro-2-pyridinyl)-methylamino]ethanone
SMILESCC(=O)N1CCN(C(=O)CN(C)c2ccc(Cl)cn2)CC1
InChIInChI=1S/C14H19ClN4O2/c1-11(20)18-5-7-19(8-6-18)14(21)10-17(2)13-4-3-12(15)9-16-13/h3-4,9H,5-8,10H2,1-2H3
InChIKeyXJCGQILLZVYTSW-UHFFFAOYSA-N
MW310.79 g/mol
LogP0.86
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-2-[(5-chloro-2-pyridinyl)-methylamino]ethanone

1-(4-acetylpiperazin-1-yl)-2-[(5-chloro-2-pyridinyl)-methylamino]ethanone (PubChem CID 56814445) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[(5-chloro-2-pyridinyl)-methylamino]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[(5-chloro-2-pyridinyl)-methylamino]ethanone
PubChem CID56814445
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[(5-chloro-2-pyridinyl)-methylamino]ethanone
SMILESCC(=O)N1CCN(C(=O)CN(C)c2ccc(Cl)cn2)CC1
InChIInChI=1S/C14H19ClN4O2/c1-11(20)18-5-7-19(8-6-18)14(21)10-17(2)13-4-3-12(15)9-16-13/h3-4,9H,5-8,10H2,1-2H3
InChIKeyXJCGQILLZVYTSW-UHFFFAOYSA-N
XLogP0.86
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[(5-chloro-2-pyridinyl)-methylamino]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[(5-chloro-2-pyridinyl)-methylamino]ethanone (CID 56814445) is 1-(4-acetylpiperazin-1-yl)-2-[(5-chloro-2-pyridinyl)-methylamino]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[(5-chloro-2-pyridinyl)-methylamino]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[(5-chloro-2-pyridinyl)-methylamino]ethanone is CC(=O)N1CCN(C(=O)CN(C)c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[(5-chloro-2-pyridinyl)-methylamino]ethanone?
The InChIKey is XJCGQILLZVYTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-11(20)18-5-7-19(8-6-18)14(21)10-17(2)13-4-3-12(15)9-16-13/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[(5-chloro-2-pyridinyl)-methylamino]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[(5-chloro-2-pyridinyl)-methylamino]ethanone has a molecular weight of 310.79 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[(5-chloro-2-pyridinyl)-methylamino]ethanone is sourced from PubChem (CID 56814445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).