1-(2-methoxyethyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one

C14H25N3O3 — CID 91925732

IUPAC1-(2-methoxyethyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one
SMILESCCC(=O)N1CCN(C2CCN(CCOC)C2=O)CC1
InChIInChI=1S/C14H25N3O3/c1-3-13(18)16-8-6-15(7-9-16)12-4-5-17(14(12)19)10-11-20-2/h12H,3-11H2,1-2H3
InChIKeyUKYUAWQJGMWTPH-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.21
Rot. Bonds5

About 1-(2-methoxyethyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one

1-(2-methoxyethyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one (PubChem CID 91925732) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one
PubChem CID91925732
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-(2-methoxyethyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one
SMILESCCC(=O)N1CCN(C2CCN(CCOC)C2=O)CC1
InChIInChI=1S/C14H25N3O3/c1-3-13(18)16-8-6-15(7-9-16)12-4-5-17(14(12)19)10-11-20-2/h12H,3-11H2,1-2H3
InChIKeyUKYUAWQJGMWTPH-UHFFFAOYSA-N
XLogP-0.21
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one (CID 91925732) is 1-(2-methoxyethyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one is CCC(=O)N1CCN(C2CCN(CCOC)C2=O)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one?
The InChIKey is UKYUAWQJGMWTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-13(18)16-8-6-15(7-9-16)12-4-5-17(14(12)19)10-11-20-2/h12H,3-11H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one?
1-(2-methoxyethyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one has a molecular weight of 283.37 g/mol, XLogP of -0.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 91925732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).