3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride

C10H18ClN3O3 — CID 110282383

IUPAC3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride
SMILESCl.O=C1NCCNC1CC(=O)N1CCC(O)C1
InChIInChI=1S/C10H17N3O3.ClH/c14-7-1-4-13(6-7)9(15)5-8-10(16)12-3-2-11-8;/h7-8,11,14H,1-6H2,(H,12,16);1H
InChIKeyHRBKAZHFBBMNDB-UHFFFAOYSA-N
MW263.72 g/mol
LogP-1.52
Rot. Bonds2

About 3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride

3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride (PubChem CID 110282383) has the molecular formula C10H18ClN3O3 and a molecular weight of 263.72 g/mol. Its IUPAC name is 3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride
PubChem CID110282383
Molecular FormulaC10H18ClN3O3
Molecular Weight263.72 g/mol
Exact Mass263.10
IUPAC Name3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride
SMILESCl.O=C1NCCNC1CC(=O)N1CCC(O)C1
InChIInChI=1S/C10H17N3O3.ClH/c14-7-1-4-13(6-7)9(15)5-8-10(16)12-3-2-11-8;/h7-8,11,14H,1-6H2,(H,12,16);1H
InChIKeyHRBKAZHFBBMNDB-UHFFFAOYSA-N
XLogP-1.52
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoroethyl)-3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride
CID 110283321
3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperazin-2-one
CID 4887926
3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 79029328
2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 103745565
ethyl 2-[(2R)-3-oxopiperazin-2-yl]acetate
CID 730145
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-morpholin-2-ylethanone
CID 107217362
1-(3-hydroxypyrrolidin-1-yl)-3-sulfanylpropan-1-one
CID 107028868
N-(2-hydroxyethyl)-N-methyl-2-(3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110282381
1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 79139214
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 64679140
(3-hydroxypyrrolidin-1-yl)-piperazin-2-ylmethanone;hydrochloride
CID 170899766
3-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 43415749

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride?
The IUPAC name of 3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride (CID 110282383) is 3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride?
The canonical SMILES for 3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride is Cl.O=C1NCCNC1CC(=O)N1CCC(O)C1.
What is the InChIKey of 3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride?
The InChIKey is HRBKAZHFBBMNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3.ClH/c14-7-1-4-13(6-7)9(15)5-8-10(16)12-3-2-11-8;/h7-8,11,14H,1-6H2,(H,12,16);1H.
What are the key properties of 3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride?
3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride has a molecular weight of 263.72 g/mol, XLogP of -1.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 110282383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).