1-[2-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone

C13H23N3O2 — CID 53015941

IUPAC1-[2-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCCN1CCN(C(=O)C2CCCN2C(C)=O)CC1
InChIInChI=1S/C13H23N3O2/c1-3-14-7-9-15(10-8-14)13(18)12-5-4-6-16(12)11(2)17/h12H,3-10H2,1-2H3
InChIKeyUOQJLYUQAGTDKH-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.16
Rot. Bonds2

About 1-[2-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone

1-[2-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone (PubChem CID 53015941) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[2-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
PubChem CID53015941
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[2-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCCN1CCN(C(=O)C2CCCN2C(C)=O)CC1
InChIInChI=1S/C13H23N3O2/c1-3-14-7-9-15(10-8-14)13(18)12-5-4-6-16(12)11(2)17/h12H,3-10H2,1-2H3
InChIKeyUOQJLYUQAGTDKH-UHFFFAOYSA-N
XLogP0.16
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
CID 71207331
1-[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119644088
1-[(2R)-2-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 143899528
1-[(2R)-2-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 124778110
1-[4-ethyl-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 24733168
1-[(2R)-2-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 125179887
1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53015946
1-[2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 42702614
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616
1-[(2R)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 94551535
1-[(2S)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 75479662
1-(1-acetylpiperidin-2-yl)propan-1-one
CID 45119530

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone (CID 53015941) is 1-[2-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone is CCN1CCN(C(=O)C2CCCN2C(C)=O)CC1.
What is the InChIKey of 1-[2-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone?
The InChIKey is UOQJLYUQAGTDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-14-7-9-15(10-8-14)13(18)12-5-4-6-16(12)11(2)17/h12H,3-10H2,1-2H3.
What are the key properties of 1-[2-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone?
1-[2-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone has a molecular weight of 253.35 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 53015941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).