1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide

C19H36N4O2 — CID 46247133

IUPAC1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
SMILESCCN1CCN(CCN2C(=O)CCC2(C)C(=O)NCCC(C)C)CC1
InChIInChI=1S/C19H36N4O2/c1-5-21-10-12-22(13-11-21)14-15-23-17(24)6-8-19(23,4)18(25)20-9-7-16(2)3/h16H,5-15H2,1-4H3,(H,20,25)
InChIKeyXZKWZVVIMCNVQC-UHFFFAOYSA-N
MW352.52 g/mol
LogP1.17
Rot. Bonds8

About 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide

1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 46247133) has the molecular formula C19H36N4O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID46247133
Molecular FormulaC19H36N4O2
Molecular Weight352.52 g/mol
Exact Mass352.28
IUPAC Name1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
SMILESCCN1CCN(CCN2C(=O)CCC2(C)C(=O)NCCC(C)C)CC1
InChIInChI=1S/C19H36N4O2/c1-5-21-10-12-22(13-11-21)14-15-23-17(24)6-8-19(23,4)18(25)20-9-7-16(2)3/h16H,5-15H2,1-4H3,(H,20,25)
InChIKeyXZKWZVVIMCNVQC-UHFFFAOYSA-N
XLogP1.17
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide (CID 46247133) is 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide is CCN1CCN(CCN2C(=O)CCC2(C)C(=O)NCCC(C)C)CC1.
What is the InChIKey of 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is XZKWZVVIMCNVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2/c1-5-21-10-12-22(13-11-21)14-15-23-17(24)6-8-19(23,4)18(25)20-9-7-16(2)3/h16H,5-15H2,1-4H3,(H,20,25).
What are the key properties of 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide?
1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 352.52 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 46247133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).