1-[2-oxo-2-[4-[4-(2-propan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]ethoxy]butan-2-one

C20H34N4O6 — CID 169159194

IUPAC1-[2-oxo-2-[4-[4-(2-propan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]ethoxy]butan-2-one
SMILESCCC(=O)COCC(=O)N1CCN(C(=O)N2CCN(C(=O)COC(C)C)CC2)CC1
InChIInChI=1S/C20H34N4O6/c1-4-17(25)13-29-14-18(26)21-5-9-23(10-6-21)20(28)24-11-7-22(8-12-24)19(27)15-30-16(2)3/h16H,4-15H2,1-3H3
InChIKeyKWHZFEBCSAFIPP-UHFFFAOYSA-N
MW426.51 g/mol
LogP-0.18
Rot. Bonds8

About 1-[2-oxo-2-[4-[4-(2-propan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]ethoxy]butan-2-one

1-[2-oxo-2-[4-[4-(2-propan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]ethoxy]butan-2-one (PubChem CID 169159194) has the molecular formula C20H34N4O6 and a molecular weight of 426.51 g/mol. Its IUPAC name is 1-[2-oxo-2-[4-[4-(2-propan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]ethoxy]butan-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-[4-[4-(2-propan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]ethoxy]butan-2-one
PubChem CID169159194
Molecular FormulaC20H34N4O6
Molecular Weight426.51 g/mol
Exact Mass426.25
IUPAC Name1-[2-oxo-2-[4-[4-(2-propan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]ethoxy]butan-2-one
SMILESCCC(=O)COCC(=O)N1CCN(C(=O)N2CCN(C(=O)COC(C)C)CC2)CC1
InChIInChI=1S/C20H34N4O6/c1-4-17(25)13-29-14-18(26)21-5-9-23(10-6-21)20(28)24-11-7-22(8-12-24)19(27)15-30-16(2)3/h16H,4-15H2,1-3H3
InChIKeyKWHZFEBCSAFIPP-UHFFFAOYSA-N
XLogP-0.18
TPSA99.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[4-[4-(2-propan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]ethoxy]butan-2-one?
The IUPAC name of 1-[2-oxo-2-[4-[4-(2-propan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]ethoxy]butan-2-one (CID 169159194) is 1-[2-oxo-2-[4-[4-(2-propan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]ethoxy]butan-2-one.
What is the SMILES notation for 1-[2-oxo-2-[4-[4-(2-propan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]ethoxy]butan-2-one?
The canonical SMILES for 1-[2-oxo-2-[4-[4-(2-propan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]ethoxy]butan-2-one is CCC(=O)COCC(=O)N1CCN(C(=O)N2CCN(C(=O)COC(C)C)CC2)CC1.
What is the InChIKey of 1-[2-oxo-2-[4-[4-(2-propan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]ethoxy]butan-2-one?
The InChIKey is KWHZFEBCSAFIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O6/c1-4-17(25)13-29-14-18(26)21-5-9-23(10-6-21)20(28)24-11-7-22(8-12-24)19(27)15-30-16(2)3/h16H,4-15H2,1-3H3.
What are the key properties of 1-[2-oxo-2-[4-[4-(2-propan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]ethoxy]butan-2-one?
1-[2-oxo-2-[4-[4-(2-propan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]ethoxy]butan-2-one has a molecular weight of 426.51 g/mol, XLogP of -0.18, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[4-[4-(2-propan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]ethoxy]butan-2-one is sourced from PubChem (CID 169159194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).