4-[1-(2-methoxyethyl)pyrrole-2-carbonyl]piperazin-2-one

C12H17N3O3 — CID 114609871

IUPAC4-[1-(2-methoxyethyl)pyrrole-2-carbonyl]piperazin-2-one
SMILESCOCCn1cccc1C(=O)N1CCNC(=O)C1
InChIInChI=1S/C12H17N3O3/c1-18-8-7-14-5-2-3-10(14)12(17)15-6-4-13-11(16)9-15/h2-3,5H,4,6-9H2,1H3,(H,13,16)
InChIKeyNKLQWYTXEVCHJZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.29
Rot. Bonds4

About 4-[1-(2-methoxyethyl)pyrrole-2-carbonyl]piperazin-2-one

4-[1-(2-methoxyethyl)pyrrole-2-carbonyl]piperazin-2-one (PubChem CID 114609871) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[1-(2-methoxyethyl)pyrrole-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[1-(2-methoxyethyl)pyrrole-2-carbonyl]piperazin-2-one
PubChem CID114609871
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-[1-(2-methoxyethyl)pyrrole-2-carbonyl]piperazin-2-one
SMILESCOCCn1cccc1C(=O)N1CCNC(=O)C1
InChIInChI=1S/C12H17N3O3/c1-18-8-7-14-5-2-3-10(14)12(17)15-6-4-13-11(16)9-15/h2-3,5H,4,6-9H2,1H3,(H,13,16)
InChIKeyNKLQWYTXEVCHJZ-UHFFFAOYSA-N
XLogP-0.29
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610014
[4-(azetidin-3-yl)piperazin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610444
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
[2-(hydroxymethyl)morpholin-4-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114609732
piperazin-1-yl-(1-propylpyrrol-2-yl)methanone
CID 43639000
1-[1-(2-methoxyethyl)pyrrole-2-carbonyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102775450
(4-amino-2-methylpiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610606
[2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610328
3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608589
4-(2-amino-6-methoxybenzoyl)piperazin-2-one
CID 81410266
4-(4-sulfanylbenzoyl)piperazin-2-one
CID 107021530
4-[(5R,7S)-1-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbonyl]piperazin-2-one
CID 146113291

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyethyl)pyrrole-2-carbonyl]piperazin-2-one?
The IUPAC name of 4-[1-(2-methoxyethyl)pyrrole-2-carbonyl]piperazin-2-one (CID 114609871) is 4-[1-(2-methoxyethyl)pyrrole-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[1-(2-methoxyethyl)pyrrole-2-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[1-(2-methoxyethyl)pyrrole-2-carbonyl]piperazin-2-one is COCCn1cccc1C(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-[1-(2-methoxyethyl)pyrrole-2-carbonyl]piperazin-2-one?
The InChIKey is NKLQWYTXEVCHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-8-7-14-5-2-3-10(14)12(17)15-6-4-13-11(16)9-15/h2-3,5H,4,6-9H2,1H3,(H,13,16).
What are the key properties of 4-[1-(2-methoxyethyl)pyrrole-2-carbonyl]piperazin-2-one?
4-[1-(2-methoxyethyl)pyrrole-2-carbonyl]piperazin-2-one has a molecular weight of 251.29 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyethyl)pyrrole-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 114609871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).