1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrolidin-2-one

C14H27N3O2 — CID 47522661

IUPAC1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrolidin-2-one
SMILESCOCCN1CCN(CCCN2CCCC2=O)CC1
InChIInChI=1S/C14H27N3O2/c1-19-13-12-16-10-8-15(9-11-16)5-3-7-17-6-2-4-14(17)18/h2-13H2,1H3
InChIKeyKKUOMXNXDUGKMA-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.26
Rot. Bonds7

About 1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrolidin-2-one

1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrolidin-2-one (PubChem CID 47522661) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrolidin-2-one
PubChem CID47522661
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrolidin-2-one
SMILESCOCCN1CCN(CCCN2CCCC2=O)CC1
InChIInChI=1S/C14H27N3O2/c1-19-13-12-16-10-8-15(9-11-16)5-3-7-17-6-2-4-14(17)18/h2-13H2,1H3
InChIKeyKKUOMXNXDUGKMA-UHFFFAOYSA-N
XLogP0.26
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Morpholine, 4-((2-oxo-1-pyrrolidinyl)acetyl)-
CID 746914
1-Ethyl-3-morpholinopyrrolidine-2,5-dione
CID 2942382
2-[3-Ethyl-4-(2-methoxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 53610274
1-Butyl-3-(morpholin-4-yl)pyrrolidine-2,5-dione
CID 2948350
3-Morpholin-4-yl-1-propan-2-ylpyrrolidine-2,5-dione
CID 2992675
3-[4-(Cyclopropylcarbonyl)piperazino]-1-(2-methoxyethyl)-2-pyrrolidinone
CID 91925716
1-(2-Methoxyethyl)-3-(4-propanoylpiperazin-1-YL)pyrrolidin-2-one
CID 91925732
3-(4-Butanoylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91925734
1-{2-[4-(2-Methoxyethyl)-1-piperazinyl]-2-oxoethyl}-2-pyrrolidinone
CID 1822554
1-[2-[4-(2-Ethoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 1822705
2-[4-(2-Ethoxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 53529972
1-[4-(2-Ethoxyethyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 53579809

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrolidin-2-one (CID 47522661) is 1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrolidin-2-one is COCCN1CCN(CCCN2CCCC2=O)CC1.
What is the InChIKey of 1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is KKUOMXNXDUGKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-19-13-12-16-10-8-15(9-11-16)5-3-7-17-6-2-4-14(17)18/h2-13H2,1H3.
What are the key properties of 1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrolidin-2-one?
1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 269.39 g/mol, XLogP of 0.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 47522661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).