1-(2,2-dimethylpropyl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolidin-2-one;1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one

C31H59N5O5 — CID 159461721

IUPAC1-(2,2-dimethylpropyl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolidin-2-one;1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one
SMILESCC(C)(C)CN1CC(OCCN2CCOCC2)CC1=O.CN1CCN(CCOC2CC(=O)N(CC(C)(C)C)C2)CC1
InChIInChI=1S/C16H31N3O2.C15H28N2O3/c1-16(2,3)13-19-12-14(11-15(19)20)21-10-9-18-7-5-17(4)6-8-18;1-15(2,3)12-17-11-13(10-14(17)18)20-9-6-16-4-7-19-8-5-16/h14H,5-13H2,1-4H3;13H,4-12H2,1-3H3
InChIKeyLURCKNUWYXVQKQ-UHFFFAOYSA-N
MW581.84 g/mol
LogP1.88
Rot. Bonds10

About 1-(2,2-dimethylpropyl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolidin-2-one;1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one

1-(2,2-dimethylpropyl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolidin-2-one;1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one (PubChem CID 159461721) has the molecular formula C31H59N5O5 and a molecular weight of 581.84 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolidin-2-one;1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolidin-2-one;1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one
PubChem CID159461721
Molecular FormulaC31H59N5O5
Molecular Weight581.84 g/mol
Exact Mass581.45
IUPAC Name1-(2,2-dimethylpropyl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolidin-2-one;1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one
SMILESCC(C)(C)CN1CC(OCCN2CCOCC2)CC1=O.CN1CCN(CCOC2CC(=O)N(CC(C)(C)C)C2)CC1
InChIInChI=1S/C16H31N3O2.C15H28N2O3/c1-16(2,3)13-19-12-14(11-15(19)20)21-10-9-18-7-5-17(4)6-8-18;1-15(2,3)12-17-11-13(10-14(17)18)20-9-6-16-4-7-19-8-5-16/h14H,5-13H2,1-4H3;13H,4-12H2,1-3H3
InChIKeyLURCKNUWYXVQKQ-UHFFFAOYSA-N
XLogP1.88
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.84
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(2,2-dimethylpropyl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolidin-2-one;1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one with MolForge

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Related Compounds

1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one
CID 58474641
1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane
CID 162058346
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
tert-butyl 3-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolidine-1-carboxylate
CID 123921751
4-[2-(4-propan-2-ylcyclohexyl)oxyethyl]morpholine
CID 71234494
ethane;2-methoxypropane;4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]morpholine
CID 176927601
5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one
CID 79354825
4-(2,2-dimethylpropyl)morpholin-3-one
CID 59172197
1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713447
methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate
CID 159132677
4-chloro-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
CID 168688552
4-[2-(1,2,3,4-tetrahydroquinolin-3-yloxy)ethyl]morpholine
CID 107387425

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolidin-2-one;1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolidin-2-one;1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one (CID 159461721) is 1-(2,2-dimethylpropyl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolidin-2-one;1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolidin-2-one;1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolidin-2-one;1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one is CC(C)(C)CN1CC(OCCN2CCOCC2)CC1=O.CN1CCN(CCOC2CC(=O)N(CC(C)(C)C)C2)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolidin-2-one;1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one?
The InChIKey is LURCKNUWYXVQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2.C15H28N2O3/c1-16(2,3)13-19-12-14(11-15(19)20)21-10-9-18-7-5-17(4)6-8-18;1-15(2,3)12-17-11-13(10-14(17)18)20-9-6-16-4-7-19-8-5-16/h14H,5-13H2,1-4H3;13H,4-12H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolidin-2-one;1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one?
1-(2,2-dimethylpropyl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolidin-2-one;1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one has a molecular weight of 581.84 g/mol, XLogP of 1.88, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolidin-2-one;1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one is sourced from PubChem (CID 159461721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).