butanedioic acid;bis(piperazine-1-carboxamide)

C14H28N6O6 — CID 174927444

IUPACbutanedioic acid;bis(piperazine-1-carboxamide)
SMILESNC(=O)N1CCNCC1.NC(=O)N1CCNCC1.O=C(O)CCC(=O)O
InChIInChI=1S/2C5H11N3O.C4H6O4/c2*6-5(9)8-3-1-7-2-4-8;5-3(6)1-2-4(7)8/h2*7H,1-4H2,(H2,6,9);1-2H2,(H,5,6)(H,7,8)
InChIKeyMWGFRKMPQISGJT-UHFFFAOYSA-N
MW376.41 g/mol
LogP-2.12
Rot. Bonds3

About butanedioic acid;bis(piperazine-1-carboxamide)

butanedioic acid;bis(piperazine-1-carboxamide) (PubChem CID 174927444) has the molecular formula C14H28N6O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is butanedioic acid;bis(piperazine-1-carboxamide).

Molecular Properties

Compound Namebutanedioic acid;bis(piperazine-1-carboxamide)
PubChem CID174927444
Molecular FormulaC14H28N6O6
Molecular Weight376.41 g/mol
Exact Mass376.21
IUPAC Namebutanedioic acid;bis(piperazine-1-carboxamide)
SMILESNC(=O)N1CCNCC1.NC(=O)N1CCNCC1.O=C(O)CCC(=O)O
InChIInChI=1S/2C5H11N3O.C4H6O4/c2*6-5(9)8-3-1-7-2-4-8;5-3(6)1-2-4(7)8/h2*7H,1-4H2,(H2,6,9);1-2H2,(H,5,6)(H,7,8)
InChIKeyMWGFRKMPQISGJT-UHFFFAOYSA-N
XLogP-2.12
TPSA191.32 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.41
LogP ≤ 5-2.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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6-piperazin-1-ylhexanoic acid
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Frequently Asked Questions

What is the IUPAC name of butanedioic acid;bis(piperazine-1-carboxamide)?
The IUPAC name of butanedioic acid;bis(piperazine-1-carboxamide) (CID 174927444) is butanedioic acid;bis(piperazine-1-carboxamide).
What is the SMILES notation for butanedioic acid;bis(piperazine-1-carboxamide)?
The canonical SMILES for butanedioic acid;bis(piperazine-1-carboxamide) is NC(=O)N1CCNCC1.NC(=O)N1CCNCC1.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;bis(piperazine-1-carboxamide)?
The InChIKey is MWGFRKMPQISGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11N3O.C4H6O4/c2*6-5(9)8-3-1-7-2-4-8;5-3(6)1-2-4(7)8/h2*7H,1-4H2,(H2,6,9);1-2H2,(H,5,6)(H,7,8).
What are the key properties of butanedioic acid;bis(piperazine-1-carboxamide)?
butanedioic acid;bis(piperazine-1-carboxamide) has a molecular weight of 376.41 g/mol, XLogP of -2.12, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;bis(piperazine-1-carboxamide) is sourced from PubChem (CID 174927444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).