2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

C17H30N4O3 — CID 78808588

IUPAC2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H30N4O3/c1-15(17(23)21-4-2-3-5-21)19-8-6-18(7-9-19)14-16(22)20-10-12-24-13-11-20/h15H,2-14H2,1H3
InChIKeyHLIBIRQDKIBVLJ-UHFFFAOYSA-N
MW338.45 g/mol
LogP-0.53
Rot. Bonds4

About 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 78808588) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID78808588
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H30N4O3/c1-15(17(23)21-4-2-3-5-21)19-8-6-18(7-9-19)14-16(22)20-10-12-24-13-11-20/h15H,2-14H2,1H3
InChIKeyHLIBIRQDKIBVLJ-UHFFFAOYSA-N
XLogP-0.53
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one with MolForge

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Related Compounds

2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 62310681
N-cyclopentyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 128951171
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 62309888
2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 20613836
(2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95318440
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one
CID 43252712
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
CID 55412944
N-(2,6-dichlorophenyl)-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide
CID 86904487
(2R)-2-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840052
(2S)-2-amino-4-methyl-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 119834293
N-butan-2-yl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide
CID 134045373
(2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 8774722

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 78808588) is 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is CC(C(=O)N1CCCC1)N1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is HLIBIRQDKIBVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-15(17(23)21-4-2-3-5-21)19-8-6-18(7-9-19)14-16(22)20-10-12-24-13-11-20/h15H,2-14H2,1H3.
What are the key properties of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 338.45 g/mol, XLogP of -0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 78808588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).