4-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-2-one

C14H21N3O2 — CID 8547596

IUPAC4-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-2-one
SMILESCCn1c(C)cc(C(=O)CN2CCNC(=O)C2)c1C
InChIInChI=1S/C14H21N3O2/c1-4-17-10(2)7-12(11(17)3)13(18)8-16-6-5-15-14(19)9-16/h7H,4-6,8-9H2,1-3H3,(H,15,19)
InChIKeyMWGMZRCWQNFCCH-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.74
Rot. Bonds4

About 4-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-2-one

4-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-2-one (PubChem CID 8547596) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-2-one
PubChem CID8547596
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-2-one
SMILESCCn1c(C)cc(C(=O)CN2CCNC(=O)C2)c1C
InChIInChI=1S/C14H21N3O2/c1-4-17-10(2)7-12(11(17)3)13(18)8-16-6-5-15-14(19)9-16/h7H,4-6,8-9H2,1-3H3,(H,15,19)
InChIKeyMWGMZRCWQNFCCH-UHFFFAOYSA-N
XLogP0.74
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-2-one?
The IUPAC name of 4-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-2-one (CID 8547596) is 4-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 4-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-2-one is CCn1c(C)cc(C(=O)CN2CCNC(=O)C2)c1C.
What is the InChIKey of 4-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-2-one?
The InChIKey is MWGMZRCWQNFCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-17-10(2)7-12(11(17)3)13(18)8-16-6-5-15-14(19)9-16/h7H,4-6,8-9H2,1-3H3,(H,15,19).
What are the key properties of 4-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-2-one?
4-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-2-one has a molecular weight of 263.34 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 8547596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).