4-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]piperazin-2-one

C12H15ClN4O2 — CID 47367116

IUPAC4-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]piperazin-2-one
SMILESCN(CC(=O)N1CCNC(=O)C1)c1ccc(Cl)cn1
InChIInChI=1S/C12H15ClN4O2/c1-16(10-3-2-9(13)6-15-10)8-12(19)17-5-4-14-11(18)7-17/h2-3,6H,4-5,7-8H2,1H3,(H,14,18)
InChIKeyIYJSCZCTDKCKPY-UHFFFAOYSA-N
MW282.73 g/mol
LogP0.13
Rot. Bonds3

About 4-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]piperazin-2-one

4-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]piperazin-2-one (PubChem CID 47367116) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 4-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]piperazin-2-one
PubChem CID47367116
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name4-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]piperazin-2-one
SMILESCN(CC(=O)N1CCNC(=O)C1)c1ccc(Cl)cn1
InChIInChI=1S/C12H15ClN4O2/c1-16(10-3-2-9(13)6-15-10)8-12(19)17-5-4-14-11(18)7-17/h2-3,6H,4-5,7-8H2,1H3,(H,14,18)
InChIKeyIYJSCZCTDKCKPY-UHFFFAOYSA-N
XLogP0.13
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]piperazin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

N,N'-Bis(2-pyridyl)oxalamide
CID 1927420
Ethyl 4-[(4-chloropyridin-2-yl)amino]piperidine-1-carboxylate
CID 24894151
1-(3,5-Dichloropyridin-2-yl)piperazine
CID 2771431
1-(5-Chloropyridin-2-yl)piperazine
CID 3805301
1-(3-Chloropyridin-2-yl)piperazine
CID 11412944
2-Acetamido-5-chloropyridine
CID 798653
4-(2-Pyridyl)piperazine-1-carboxamide
CID 22418783
N-(5-chloropyridin-2-yl)-2-methylpentanamide
CID 2889757
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4780744
N-(5-chloropyridin-2-yl)cyclopropanecarboxamide
CID 686089
N-(5-chloropyridin-2-yl)-2-morpholin-4-ylacetamide
CID 1250810
N,N'-bis(5-methylpyridin-2-yl)ethanediamide
CID 2166281

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]piperazin-2-one?
The IUPAC name of 4-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]piperazin-2-one (CID 47367116) is 4-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]piperazin-2-one is CN(CC(=O)N1CCNC(=O)C1)c1ccc(Cl)cn1.
What is the InChIKey of 4-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]piperazin-2-one?
The InChIKey is IYJSCZCTDKCKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-16(10-3-2-9(13)6-15-10)8-12(19)17-5-4-14-11(18)7-17/h2-3,6H,4-5,7-8H2,1H3,(H,14,18).
What are the key properties of 4-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]piperazin-2-one?
4-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]piperazin-2-one has a molecular weight of 282.73 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]piperazin-2-one is sourced from PubChem (CID 47367116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).