2-(diethylamino)-1-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone

C15H28N4O3 — CID 119875939

IUPAC2-(diethylamino)-1-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCN(C(=O)C2CC(O)CN2)CC1
InChIInChI=1S/C15H28N4O3/c1-3-17(4-2)11-14(21)18-5-7-19(8-6-18)15(22)13-9-12(20)10-16-13/h12-13,16,20H,3-11H2,1-2H3
InChIKeyQPXDLHWJQIUGLW-UHFFFAOYSA-N
MW312.41 g/mol
LogP-1.28
Rot. Bonds5

About 2-(diethylamino)-1-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone

2-(diethylamino)-1-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 119875939) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-(diethylamino)-1-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID119875939
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC Name2-(diethylamino)-1-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCN(C(=O)C2CC(O)CN2)CC1
InChIInChI=1S/C15H28N4O3/c1-3-17(4-2)11-14(21)18-5-7-19(8-6-18)15(22)13-9-12(20)10-16-13/h12-13,16,20H,3-11H2,1-2H3
InChIKeyQPXDLHWJQIUGLW-UHFFFAOYSA-N
XLogP-1.28
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 28943560
(4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 54869715
2-(diethylamino)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 120635729
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 43501363
[4-(2-ethoxyethyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119843323
4-[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]piperazine-1-carbaldehyde
CID 168822256
[4-(2-ethoxyethyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119843322
(4-hydroxypyrrolidin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 54873709
(4-hydroxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61261071
2-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]propanoic acid
CID 62311887
2-(dimethylamino)-1-[4-(4-methoxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 61214799
[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119869082

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(diethylamino)-1-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone (CID 119875939) is 2-(diethylamino)-1-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(diethylamino)-1-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(diethylamino)-1-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone is CCN(CC)CC(=O)N1CCN(C(=O)C2CC(O)CN2)CC1.
What is the InChIKey of 2-(diethylamino)-1-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is QPXDLHWJQIUGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3/c1-3-17(4-2)11-14(21)18-5-7-19(8-6-18)15(22)13-9-12(20)10-16-13/h12-13,16,20H,3-11H2,1-2H3.
What are the key properties of 2-(diethylamino)-1-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone?
2-(diethylamino)-1-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 312.41 g/mol, XLogP of -1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 119875939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).