(2S,5R)-2-N,2-N,5-N,5-N-tetrakis(2-hydroxyethyl)piperazine-2,5-dicarboxamide

C14H28N4O6 — CID 132520855

IUPAC(2S,5R)-2-N,2-N,5-N,5-N-tetrakis(2-hydroxyethyl)piperazine-2,5-dicarboxamide
SMILESO=C([C@@H]1CN[C@@H](C(=O)N(CCO)CCO)CN1)N(CCO)CCO
InChIInChI=1S/C14H28N4O6/c19-5-1-17(2-6-20)13(23)11-9-16-12(10-15-11)14(24)18(3-7-21)4-8-22/h11-12,15-16,19-22H,1-10H2/t11-,12+
InChIKeyRDOFGINMNMASLZ-TXEJJXNPSA-N
MW348.40 g/mol
LogP-4.46
Rot. Bonds10

About (2S,5R)-2-N,2-N,5-N,5-N-tetrakis(2-hydroxyethyl)piperazine-2,5-dicarboxamide

(2S,5R)-2-N,2-N,5-N,5-N-tetrakis(2-hydroxyethyl)piperazine-2,5-dicarboxamide (PubChem CID 132520855) has the molecular formula C14H28N4O6 and a molecular weight of 348.40 g/mol. Its IUPAC name is (2S,5R)-2-N,2-N,5-N,5-N-tetrakis(2-hydroxyethyl)piperazine-2,5-dicarboxamide.

Molecular Properties

Compound Name(2S,5R)-2-N,2-N,5-N,5-N-tetrakis(2-hydroxyethyl)piperazine-2,5-dicarboxamide
PubChem CID132520855
Molecular FormulaC14H28N4O6
Molecular Weight348.40 g/mol
Exact Mass348.20
IUPAC Name(2S,5R)-2-N,2-N,5-N,5-N-tetrakis(2-hydroxyethyl)piperazine-2,5-dicarboxamide
SMILESO=C([C@@H]1CN[C@@H](C(=O)N(CCO)CCO)CN1)N(CCO)CCO
InChIInChI=1S/C14H28N4O6/c19-5-1-17(2-6-20)13(23)11-9-16-12(10-15-11)14(24)18(3-7-21)4-8-22/h11-12,15-16,19-22H,1-10H2/t11-,12+
InChIKeyRDOFGINMNMASLZ-TXEJJXNPSA-N
XLogP-4.46
TPSA145.60 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.40
LogP ≤ 5-4.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-N,2-N,5-N,5-N-tetrakis(2-hydroxyethyl)piperazine-2,5-dicarboxamide?
The IUPAC name of (2S,5R)-2-N,2-N,5-N,5-N-tetrakis(2-hydroxyethyl)piperazine-2,5-dicarboxamide (CID 132520855) is (2S,5R)-2-N,2-N,5-N,5-N-tetrakis(2-hydroxyethyl)piperazine-2,5-dicarboxamide.
What is the SMILES notation for (2S,5R)-2-N,2-N,5-N,5-N-tetrakis(2-hydroxyethyl)piperazine-2,5-dicarboxamide?
The canonical SMILES for (2S,5R)-2-N,2-N,5-N,5-N-tetrakis(2-hydroxyethyl)piperazine-2,5-dicarboxamide is O=C([C@@H]1CN[C@@H](C(=O)N(CCO)CCO)CN1)N(CCO)CCO.
What is the InChIKey of (2S,5R)-2-N,2-N,5-N,5-N-tetrakis(2-hydroxyethyl)piperazine-2,5-dicarboxamide?
The InChIKey is RDOFGINMNMASLZ-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H28N4O6/c19-5-1-17(2-6-20)13(23)11-9-16-12(10-15-11)14(24)18(3-7-21)4-8-22/h11-12,15-16,19-22H,1-10H2/t11-,12+.
What are the key properties of (2S,5R)-2-N,2-N,5-N,5-N-tetrakis(2-hydroxyethyl)piperazine-2,5-dicarboxamide?
(2S,5R)-2-N,2-N,5-N,5-N-tetrakis(2-hydroxyethyl)piperazine-2,5-dicarboxamide has a molecular weight of 348.40 g/mol, XLogP of -4.46, 10 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-N,2-N,5-N,5-N-tetrakis(2-hydroxyethyl)piperazine-2,5-dicarboxamide is sourced from PubChem (CID 132520855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).