4-(2,3-dimethylpiperazine-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one;dihydrochloride

C17H32Cl2N4O3 — CID 120570902

IUPAC4-(2,3-dimethylpiperazine-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one;dihydrochloride
SMILESCC1NCCN(C(=O)C2CC(=O)N(CCN3CCOCC3)C2)C1C.Cl.Cl
InChIInChI=1S/C17H30N4O3.2ClH/c1-13-14(2)21(4-3-18-13)17(23)15-11-16(22)20(12-15)6-5-19-7-9-24-10-8-19;;/h13-15,18H,3-12H2,1-2H3;2*1H
InChIKeyRERNMYANTSJLLG-UHFFFAOYSA-N
MW411.37 g/mol
LogP0.22
Rot. Bonds4

About 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one;dihydrochloride

4-(2,3-dimethylpiperazine-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one;dihydrochloride (PubChem CID 120570902) has the molecular formula C17H32Cl2N4O3 and a molecular weight of 411.37 g/mol. Its IUPAC name is 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name4-(2,3-dimethylpiperazine-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one;dihydrochloride
PubChem CID120570902
Molecular FormulaC17H32Cl2N4O3
Molecular Weight411.37 g/mol
Exact Mass410.19
IUPAC Name4-(2,3-dimethylpiperazine-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one;dihydrochloride
SMILESCC1NCCN(C(=O)C2CC(=O)N(CCN3CCOCC3)C2)C1C.Cl.Cl
InChIInChI=1S/C17H30N4O3.2ClH/c1-13-14(2)21(4-3-18-13)17(23)15-11-16(22)20(12-15)6-5-19-7-9-24-10-8-19;;/h13-15,18H,3-12H2,1-2H3;2*1H
InChIKeyRERNMYANTSJLLG-UHFFFAOYSA-N
XLogP0.22
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.37
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpiperidin-2-one;hydrochloride
CID 120572547
4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 120571726
N-[2-(ethylamino)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119508727
1-(3,5-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 120571907
(2S)-4-methyl-2-[[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119361761
4-(2,3-dimethylpiperazine-1-carbonyl)piperidin-2-one
CID 120572888
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 119624805
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 113182980
(3R)-1-(2-morpholin-4-ylethyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 95046533
5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one
CID 79354825
N-(2,5-dimethylphenyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182982
N-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 119408328

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one;dihydrochloride?
The IUPAC name of 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one;dihydrochloride (CID 120570902) is 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one;dihydrochloride.
What is the SMILES notation for 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one;dihydrochloride?
The canonical SMILES for 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one;dihydrochloride is CC1NCCN(C(=O)C2CC(=O)N(CCN3CCOCC3)C2)C1C.Cl.Cl.
What is the InChIKey of 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one;dihydrochloride?
The InChIKey is RERNMYANTSJLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3.2ClH/c1-13-14(2)21(4-3-18-13)17(23)15-11-16(22)20(12-15)6-5-19-7-9-24-10-8-19;;/h13-15,18H,3-12H2,1-2H3;2*1H.
What are the key properties of 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one;dihydrochloride?
4-(2,3-dimethylpiperazine-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one;dihydrochloride has a molecular weight of 411.37 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpiperazine-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one;dihydrochloride is sourced from PubChem (CID 120570902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).