N-[4-(4-chlorophenyl)-2,5-dioxopiperazin-1-yl]-2-morpholin-4-ylacetamide

C16H19ClN4O4 — CID 2816675

IUPACN-[4-(4-chlorophenyl)-2,5-dioxopiperazin-1-yl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NN1CC(=O)N(c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C16H19ClN4O4/c17-12-1-3-13(4-2-12)20-10-16(24)21(11-15(20)23)18-14(22)9-19-5-7-25-8-6-19/h1-4H,5-11H2,(H,18,22)
InChIKeyLSKONXAFHVYCCC-UHFFFAOYSA-N
MW366.81 g/mol
LogP-0.12
Rot. Bonds4

About N-[4-(4-chlorophenyl)-2,5-dioxopiperazin-1-yl]-2-morpholin-4-ylacetamide

N-[4-(4-chlorophenyl)-2,5-dioxopiperazin-1-yl]-2-morpholin-4-ylacetamide (PubChem CID 2816675) has the molecular formula C16H19ClN4O4 and a molecular weight of 366.81 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-2,5-dioxopiperazin-1-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-2,5-dioxopiperazin-1-yl]-2-morpholin-4-ylacetamide
PubChem CID2816675
Molecular FormulaC16H19ClN4O4
Molecular Weight366.81 g/mol
Exact Mass366.11
IUPAC NameN-[4-(4-chlorophenyl)-2,5-dioxopiperazin-1-yl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NN1CC(=O)N(c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C16H19ClN4O4/c17-12-1-3-13(4-2-12)20-10-16(24)21(11-15(20)23)18-14(22)9-19-5-7-25-8-6-19/h1-4H,5-11H2,(H,18,22)
InChIKeyLSKONXAFHVYCCC-UHFFFAOYSA-N
XLogP-0.12
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-2,5-dioxopiperazin-1-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-2,5-dioxopiperazin-1-yl]-2-morpholin-4-ylacetamide (CID 2816675) is N-[4-(4-chlorophenyl)-2,5-dioxopiperazin-1-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-2,5-dioxopiperazin-1-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-2,5-dioxopiperazin-1-yl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)NN1CC(=O)N(c2ccc(Cl)cc2)CC1=O.
What is the InChIKey of N-[4-(4-chlorophenyl)-2,5-dioxopiperazin-1-yl]-2-morpholin-4-ylacetamide?
The InChIKey is LSKONXAFHVYCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O4/c17-12-1-3-13(4-2-12)20-10-16(24)21(11-15(20)23)18-14(22)9-19-5-7-25-8-6-19/h1-4H,5-11H2,(H,18,22).
What are the key properties of N-[4-(4-chlorophenyl)-2,5-dioxopiperazin-1-yl]-2-morpholin-4-ylacetamide?
N-[4-(4-chlorophenyl)-2,5-dioxopiperazin-1-yl]-2-morpholin-4-ylacetamide has a molecular weight of 366.81 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-2,5-dioxopiperazin-1-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 2816675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).