4-[2-[4-(2-chloropyridine-4-carbonyl)morpholin-3-yl]acetyl]piperazin-2-one

C16H19ClN4O4 — CID 56889319

IUPAC4-[2-[4-(2-chloropyridine-4-carbonyl)morpholin-3-yl]acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CC2COCCN2C(=O)c2ccnc(Cl)c2)CCN1
InChIInChI=1S/C16H19ClN4O4/c17-13-7-11(1-2-18-13)16(24)21-5-6-25-10-12(21)8-15(23)20-4-3-19-14(22)9-20/h1-2,7,12H,3-6,8-10H2,(H,19,22)
InChIKeyQEDZLBLKVFWINJ-UHFFFAOYSA-N
MW366.81 g/mol
LogP-0.08
Rot. Bonds3

About 4-[2-[4-(2-chloropyridine-4-carbonyl)morpholin-3-yl]acetyl]piperazin-2-one

4-[2-[4-(2-chloropyridine-4-carbonyl)morpholin-3-yl]acetyl]piperazin-2-one (PubChem CID 56889319) has the molecular formula C16H19ClN4O4 and a molecular weight of 366.81 g/mol. Its IUPAC name is 4-[2-[4-(2-chloropyridine-4-carbonyl)morpholin-3-yl]acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[4-(2-chloropyridine-4-carbonyl)morpholin-3-yl]acetyl]piperazin-2-one
PubChem CID56889319
Molecular FormulaC16H19ClN4O4
Molecular Weight366.81 g/mol
Exact Mass366.11
IUPAC Name4-[2-[4-(2-chloropyridine-4-carbonyl)morpholin-3-yl]acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CC2COCCN2C(=O)c2ccnc(Cl)c2)CCN1
InChIInChI=1S/C16H19ClN4O4/c17-13-7-11(1-2-18-13)16(24)21-5-6-25-10-12(21)8-15(23)20-4-3-19-14(22)9-20/h1-2,7,12H,3-6,8-10H2,(H,19,22)
InChIKeyQEDZLBLKVFWINJ-UHFFFAOYSA-N
XLogP-0.08
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 5-0.08
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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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-chloropyridine-4-carbonyl)morpholin-3-yl]acetyl]piperazin-2-one?
The IUPAC name of 4-[2-[4-(2-chloropyridine-4-carbonyl)morpholin-3-yl]acetyl]piperazin-2-one (CID 56889319) is 4-[2-[4-(2-chloropyridine-4-carbonyl)morpholin-3-yl]acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-[4-(2-chloropyridine-4-carbonyl)morpholin-3-yl]acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-[4-(2-chloropyridine-4-carbonyl)morpholin-3-yl]acetyl]piperazin-2-one is O=C1CN(C(=O)CC2COCCN2C(=O)c2ccnc(Cl)c2)CCN1.
What is the InChIKey of 4-[2-[4-(2-chloropyridine-4-carbonyl)morpholin-3-yl]acetyl]piperazin-2-one?
The InChIKey is QEDZLBLKVFWINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O4/c17-13-7-11(1-2-18-13)16(24)21-5-6-25-10-12(21)8-15(23)20-4-3-19-14(22)9-20/h1-2,7,12H,3-6,8-10H2,(H,19,22).
What are the key properties of 4-[2-[4-(2-chloropyridine-4-carbonyl)morpholin-3-yl]acetyl]piperazin-2-one?
4-[2-[4-(2-chloropyridine-4-carbonyl)morpholin-3-yl]acetyl]piperazin-2-one has a molecular weight of 366.81 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-chloropyridine-4-carbonyl)morpholin-3-yl]acetyl]piperazin-2-one is sourced from PubChem (CID 56889319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).