propan-2-yl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate;hydrochloride

C11H21ClN2O3 — CID 110282532

IUPACpropan-2-yl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate;hydrochloride
SMILESCCN1CCNC(CC(=O)OC(C)C)C1=O.Cl
InChIInChI=1S/C11H20N2O3.ClH/c1-4-13-6-5-12-9(11(13)15)7-10(14)16-8(2)3;/h8-9,12H,4-7H2,1-3H3;1H
InChIKeyMPHGUHBEVMAXCC-UHFFFAOYSA-N
MW264.75 g/mol
LogP0.57
Rot. Bonds4

About propan-2-yl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate;hydrochloride

propan-2-yl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate;hydrochloride (PubChem CID 110282532) has the molecular formula C11H21ClN2O3 and a molecular weight of 264.75 g/mol. Its IUPAC name is propan-2-yl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate;hydrochloride
PubChem CID110282532
Molecular FormulaC11H21ClN2O3
Molecular Weight264.75 g/mol
Exact Mass264.12
IUPAC Namepropan-2-yl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate;hydrochloride
SMILESCCN1CCNC(CC(=O)OC(C)C)C1=O.Cl
InChIInChI=1S/C11H20N2O3.ClH/c1-4-13-6-5-12-9(11(13)15)7-10(14)16-8(2)3;/h8-9,12H,4-7H2,1-3H3;1H
InChIKeyMPHGUHBEVMAXCC-UHFFFAOYSA-N
XLogP0.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2S)-4-ethyl-3-oxopiperazin-2-yl]acetate
CID 86316765
ethyl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate
CID 110282529
propan-2-yl 2-(3-oxopiperazin-2-yl)acetate;hydrochloride
CID 110282376
(3R)-1,3-diethylpiperazin-2-one
CID 96645682
N-cyclopropyl-2-(4-ethyl-3-oxopiperazin-2-yl)acetamide
CID 110282604
ethyl 2-(3-oxo-4-prop-2-enylpiperazin-2-yl)acetate;hydrochloride
CID 110283016
2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 110282708
N,N-dimethyl-2-(3-oxo-4-propylpiperazin-2-yl)acetamide;hydrochloride
CID 110282730
2-[4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetamide
CID 110283554
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one
CID 110282733
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-ethylpiperazin-2-one
CID 110282575
ethyl 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 110283992

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate;hydrochloride?
The IUPAC name of propan-2-yl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate;hydrochloride (CID 110282532) is propan-2-yl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate;hydrochloride.
What is the SMILES notation for propan-2-yl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate;hydrochloride?
The canonical SMILES for propan-2-yl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate;hydrochloride is CCN1CCNC(CC(=O)OC(C)C)C1=O.Cl.
What is the InChIKey of propan-2-yl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate;hydrochloride?
The InChIKey is MPHGUHBEVMAXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3.ClH/c1-4-13-6-5-12-9(11(13)15)7-10(14)16-8(2)3;/h8-9,12H,4-7H2,1-3H3;1H.
What are the key properties of propan-2-yl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate;hydrochloride?
propan-2-yl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate;hydrochloride has a molecular weight of 264.75 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate;hydrochloride is sourced from PubChem (CID 110282532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).