2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]-N,N-dipropylacetamide;hydrochloride

C15H30ClN3O3 — CID 110282954

IUPAC2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]-N,N-dipropylacetamide;hydrochloride
SMILESCCCN(CCC)C(=O)CC1NCCN(CCOC)C1=O.Cl
InChIInChI=1S/C15H29N3O3.ClH/c1-4-7-17(8-5-2)14(19)12-13-15(20)18(9-6-16-13)10-11-21-3;/h13,16H,4-12H2,1-3H3;1H
InChIKeyWJJHRBRGFGGABC-UHFFFAOYSA-N
MW335.88 g/mol
LogP0.89
Rot. Bonds9

About 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]-N,N-dipropylacetamide;hydrochloride

2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]-N,N-dipropylacetamide;hydrochloride (PubChem CID 110282954) has the molecular formula C15H30ClN3O3 and a molecular weight of 335.88 g/mol. Its IUPAC name is 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]-N,N-dipropylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]-N,N-dipropylacetamide;hydrochloride
PubChem CID110282954
Molecular FormulaC15H30ClN3O3
Molecular Weight335.88 g/mol
Exact Mass335.20
IUPAC Name2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]-N,N-dipropylacetamide;hydrochloride
SMILESCCCN(CCC)C(=O)CC1NCCN(CCOC)C1=O.Cl
InChIInChI=1S/C15H29N3O3.ClH/c1-4-7-17(8-5-2)14(19)12-13-15(20)18(9-6-16-13)10-11-21-3;/h13,16H,4-12H2,1-3H3;1H
InChIKeyWJJHRBRGFGGABC-UHFFFAOYSA-N
XLogP0.89
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]-N,N-dipropylacetamide;hydrochloride?
The IUPAC name of 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]-N,N-dipropylacetamide;hydrochloride (CID 110282954) is 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]-N,N-dipropylacetamide;hydrochloride.
What is the SMILES notation for 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]-N,N-dipropylacetamide;hydrochloride?
The canonical SMILES for 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]-N,N-dipropylacetamide;hydrochloride is CCCN(CCC)C(=O)CC1NCCN(CCOC)C1=O.Cl.
What is the InChIKey of 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]-N,N-dipropylacetamide;hydrochloride?
The InChIKey is WJJHRBRGFGGABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3.ClH/c1-4-7-17(8-5-2)14(19)12-13-15(20)18(9-6-16-13)10-11-21-3;/h13,16H,4-12H2,1-3H3;1H.
What are the key properties of 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]-N,N-dipropylacetamide;hydrochloride?
2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]-N,N-dipropylacetamide;hydrochloride has a molecular weight of 335.88 g/mol, XLogP of 0.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]-N,N-dipropylacetamide;hydrochloride is sourced from PubChem (CID 110282954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).