N'-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide

C23H33N5O4 — CID 29112462

IUPACN'-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide
SMILESCC[C@]1(c2ccc(NC(=O)C(=O)NCCCN3CCN(C)CC3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C23H33N5O4/c1-3-23(10-9-19(29)26-22(23)32)17-5-7-18(8-6-17)25-21(31)20(30)24-11-4-12-28-15-13-27(2)14-16-28/h5-8H,3-4,9-16H2,1-2H3,(H,24,30)(H,25,31)(H,26,29,32)/t23-/m1/s1
InChIKeyLZQNDXURPARGDY-HSZRJFAPSA-N
MW443.55 g/mol
LogP0.46
Rot. Bonds7

About N'-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide

N'-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide (PubChem CID 29112462) has the molecular formula C23H33N5O4 and a molecular weight of 443.55 g/mol. Its IUPAC name is N'-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide.

Molecular Properties

Compound NameN'-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide
PubChem CID29112462
Molecular FormulaC23H33N5O4
Molecular Weight443.55 g/mol
Exact Mass443.25
IUPAC NameN'-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide
SMILESCC[C@]1(c2ccc(NC(=O)C(=O)NCCCN3CCN(C)CC3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C23H33N5O4/c1-3-23(10-9-19(29)26-22(23)32)17-5-7-18(8-6-17)25-21(31)20(30)24-11-4-12-28-15-13-27(2)14-16-28/h5-8H,3-4,9-16H2,1-2H3,(H,24,30)(H,25,31)(H,26,29,32)/t23-/m1/s1
InChIKeyLZQNDXURPARGDY-HSZRJFAPSA-N
XLogP0.46
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide?
The IUPAC name of N'-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide (CID 29112462) is N'-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide.
What is the SMILES notation for N'-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide?
The canonical SMILES for N'-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide is CC[C@]1(c2ccc(NC(=O)C(=O)NCCCN3CCN(C)CC3)cc2)CCC(=O)NC1=O.
What is the InChIKey of N'-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide?
The InChIKey is LZQNDXURPARGDY-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H33N5O4/c1-3-23(10-9-19(29)26-22(23)32)17-5-7-18(8-6-17)25-21(31)20(30)24-11-4-12-28-15-13-27(2)14-16-28/h5-8H,3-4,9-16H2,1-2H3,(H,24,30)(H,25,31)(H,26,29,32)/t23-/m1/s1.
What are the key properties of N'-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide?
N'-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide has a molecular weight of 443.55 g/mol, XLogP of 0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide is sourced from PubChem (CID 29112462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).