1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone

C13H23N3O2 — CID 63140257

IUPAC1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
SMILESCCC1(C(=O)N2CCN(C(C)=O)CC2)CCNC1
InChIInChI=1S/C13H23N3O2/c1-3-13(4-5-14-10-13)12(18)16-8-6-15(7-9-16)11(2)17/h14H,3-10H2,1-2H3
InChIKeyCELINFFJPBYZBN-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.07
Rot. Bonds2

About 1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone

1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 63140257) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID63140257
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
SMILESCCC1(C(=O)N2CCN(C(C)=O)CC2)CCNC1
InChIInChI=1S/C13H23N3O2/c1-3-13(4-5-14-10-13)12(18)16-8-6-15(7-9-16)11(2)17/h14H,3-10H2,1-2H3
InChIKeyCELINFFJPBYZBN-UHFFFAOYSA-N
XLogP0.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone (CID 63140257) is 1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone is CCC1(C(=O)N2CCN(C(C)=O)CC2)CCNC1.
What is the InChIKey of 1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is CELINFFJPBYZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-13(4-5-14-10-13)12(18)16-8-6-15(7-9-16)11(2)17/h14H,3-10H2,1-2H3.
What are the key properties of 1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone?
1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 253.35 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 63140257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).