1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C12H22N4O2 — CID 168696347

IUPAC1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN1CCN(CCN2CC(C(N)=O)CC2=O)CC1
InChIInChI=1S/C12H22N4O2/c1-14-2-4-15(5-3-14)6-7-16-9-10(12(13)18)8-11(16)17/h10H,2-9H2,1H3,(H2,13,18)
InChIKeyMZHSYIVHKLVRAR-UHFFFAOYSA-N
MW254.33 g/mol
LogP-1.43
Rot. Bonds4

About 1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696347) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID168696347
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN1CCN(CCN2CC(C(N)=O)CC2=O)CC1
InChIInChI=1S/C12H22N4O2/c1-14-2-4-15(5-3-14)6-7-16-9-10(12(13)18)8-11(16)17/h10H,2-9H2,1H3,(H2,13,18)
InChIKeyMZHSYIVHKLVRAR-UHFFFAOYSA-N
XLogP-1.43
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide
CID 168697234
5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide
CID 168697255
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169
(3R)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586168
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
(3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid
CID 29136485
1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 139907414
7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168697198
(2S)-4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-hydroxybutanoic acid
CID 168695887
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168696255
1-methyl-5-oxopyrrolidine-3-carboxamide
CID 541476
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168697250

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 168696347) is 1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is CN1CCN(CCN2CC(C(N)=O)CC2=O)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MZHSYIVHKLVRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-14-2-4-15(5-3-14)6-7-16-9-10(12(13)18)8-11(16)17/h10H,2-9H2,1H3,(H2,13,18).
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 254.33 g/mol, XLogP of -1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).