1-(2-methoxyethyl)-5-oxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide

C18H28N6O3 — CID 131917365

IUPAC1-(2-methoxyethyl)-5-oxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCCN2CCN(c3ncccn3)CC2)CC1=O
InChIInChI=1S/C18H28N6O3/c1-27-12-11-24-14-15(13-16(24)25)17(26)19-5-6-22-7-9-23(10-8-22)18-20-3-2-4-21-18/h2-4,15H,5-14H2,1H3,(H,19,26)
InChIKeyLFUVYUIUJMGCAD-UHFFFAOYSA-N
MW376.46 g/mol
LogP-0.79
Rot. Bonds8

About 1-(2-methoxyethyl)-5-oxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide

1-(2-methoxyethyl)-5-oxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 131917365) has the molecular formula C18H28N6O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-oxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-oxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID131917365
Molecular FormulaC18H28N6O3
Molecular Weight376.46 g/mol
Exact Mass376.22
IUPAC Name1-(2-methoxyethyl)-5-oxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCCN2CCN(c3ncccn3)CC2)CC1=O
InChIInChI=1S/C18H28N6O3/c1-27-12-11-24-14-15(13-16(24)25)17(26)19-5-6-22-7-9-23(10-8-22)18-20-3-2-4-21-18/h2-4,15H,5-14H2,1H3,(H,19,26)
InChIKeyLFUVYUIUJMGCAD-UHFFFAOYSA-N
XLogP-0.79
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methoxyethyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide
CID 119444938
3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 43354871
N-[2-(2-hydroxyethoxy)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 55024342
N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182494
N-(2-indol-1-ylethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 108726452
1-(2-methoxyethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 51077316
N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 651470
1-(2-methoxyethyl)-5-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 171675304
(3R)-1-(2-methylpropyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 51940146
N-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 62575110
methyl (E)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]pent-2-enoate
CID 146099920
N-(2-amino-2-methylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 119625881

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-oxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-5-oxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide (CID 131917365) is 1-(2-methoxyethyl)-5-oxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-5-oxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-5-oxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide is COCCN1CC(C(=O)NCCN2CCN(c3ncccn3)CC2)CC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-5-oxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is LFUVYUIUJMGCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O3/c1-27-12-11-24-14-15(13-16(24)25)17(26)19-5-6-22-7-9-23(10-8-22)18-20-3-2-4-21-18/h2-4,15H,5-14H2,1H3,(H,19,26).
What are the key properties of 1-(2-methoxyethyl)-5-oxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide?
1-(2-methoxyethyl)-5-oxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of -0.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-oxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 131917365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).