propan-2-yl 2-(3-oxopiperazin-2-yl)acetate;hydrochloride

C9H17ClN2O3 — CID 110282376

IUPACpropan-2-yl 2-(3-oxopiperazin-2-yl)acetate;hydrochloride
SMILESCC(C)OC(=O)CC1NCCNC1=O.Cl
InChIInChI=1S/C9H16N2O3.ClH/c1-6(2)14-8(12)5-7-9(13)11-4-3-10-7;/h6-7,10H,3-5H2,1-2H3,(H,11,13);1H
InChIKeyRSQYHMGDXPAGID-UHFFFAOYSA-N
MW236.70 g/mol
LogP-0.16
Rot. Bonds3

About propan-2-yl 2-(3-oxopiperazin-2-yl)acetate;hydrochloride

propan-2-yl 2-(3-oxopiperazin-2-yl)acetate;hydrochloride (PubChem CID 110282376) has the molecular formula C9H17ClN2O3 and a molecular weight of 236.70 g/mol. Its IUPAC name is propan-2-yl 2-(3-oxopiperazin-2-yl)acetate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl 2-(3-oxopiperazin-2-yl)acetate;hydrochloride
PubChem CID110282376
Molecular FormulaC9H17ClN2O3
Molecular Weight236.70 g/mol
Exact Mass236.09
IUPAC Namepropan-2-yl 2-(3-oxopiperazin-2-yl)acetate;hydrochloride
SMILESCC(C)OC(=O)CC1NCCNC1=O.Cl
InChIInChI=1S/C9H16N2O3.ClH/c1-6(2)14-8(12)5-7-9(13)11-4-3-10-7;/h6-7,10H,3-5H2,1-2H3,(H,11,13);1H
InChIKeyRSQYHMGDXPAGID-UHFFFAOYSA-N
XLogP-0.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2R)-3-oxopiperazin-2-yl]acetate
CID 730145
propan-2-yl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate;hydrochloride
CID 110282532
2-(3-oxopiperazin-2-yl)-N-(1-phenylethyl)acetamide;hydrochloride
CID 110282432
propan-2-yl 2-(3-oxo-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl)acetate
CID 67593045
benzyl 2-[(2S)-3-oxopiperazin-2-yl]acetate
CID 952327
N-(2-hydroxyethyl)-N-methyl-2-(3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110282381
propan-2-yl 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetate
CID 4690414
2-[(2S)-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 6927912
2-(3-oxopiperazin-2-yl)-N-(1-phenylethyl)acetamide
CID 54794720
(3S)-3-[(2S)-2-methylbutyl]piperazin-2-one
CID 55253255
N-(4-acetamidophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 7273614
tert-butyl N-[2-(3-oxopiperazin-2-yl)ethyl]carbamate
CID 83670569

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(3-oxopiperazin-2-yl)acetate;hydrochloride?
The IUPAC name of propan-2-yl 2-(3-oxopiperazin-2-yl)acetate;hydrochloride (CID 110282376) is propan-2-yl 2-(3-oxopiperazin-2-yl)acetate;hydrochloride.
What is the SMILES notation for propan-2-yl 2-(3-oxopiperazin-2-yl)acetate;hydrochloride?
The canonical SMILES for propan-2-yl 2-(3-oxopiperazin-2-yl)acetate;hydrochloride is CC(C)OC(=O)CC1NCCNC1=O.Cl.
What is the InChIKey of propan-2-yl 2-(3-oxopiperazin-2-yl)acetate;hydrochloride?
The InChIKey is RSQYHMGDXPAGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3.ClH/c1-6(2)14-8(12)5-7-9(13)11-4-3-10-7;/h6-7,10H,3-5H2,1-2H3,(H,11,13);1H.
What are the key properties of propan-2-yl 2-(3-oxopiperazin-2-yl)acetate;hydrochloride?
propan-2-yl 2-(3-oxopiperazin-2-yl)acetate;hydrochloride has a molecular weight of 236.70 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3-oxopiperazin-2-yl)acetate;hydrochloride is sourced from PubChem (CID 110282376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).