bis(3-benzamidopropanoic acid);piperazine

C24H32N4O6 — CID 3045072

IUPACbis(3-benzamidopropanoic acid);piperazine
SMILESC1CNCCN1.O=C(O)CCNC(=O)c1ccccc1.O=C(O)CCNC(=O)c1ccccc1
InChIInChI=1S/2C10H11NO3.C4H10N2/c2*12-9(13)6-7-11-10(14)8-4-2-1-3-5-8;1-2-6-4-3-5-1/h2*1-5H,6-7H2,(H,11,14)(H,12,13);5-6H,1-4H2
InChIKeyFUAIYZQUQFFHRP-UHFFFAOYSA-N
MW472.54 g/mol
LogP0.96
Rot. Bonds8

About bis(3-benzamidopropanoic acid);piperazine

bis(3-benzamidopropanoic acid);piperazine (PubChem CID 3045072) has the molecular formula C24H32N4O6 and a molecular weight of 472.54 g/mol. Its IUPAC name is bis(3-benzamidopropanoic acid);piperazine.

Molecular Properties

Compound Namebis(3-benzamidopropanoic acid);piperazine
PubChem CID3045072
Molecular FormulaC24H32N4O6
Molecular Weight472.54 g/mol
Exact Mass472.23
IUPAC Namebis(3-benzamidopropanoic acid);piperazine
SMILESC1CNCCN1.O=C(O)CCNC(=O)c1ccccc1.O=C(O)CCNC(=O)c1ccccc1
InChIInChI=1S/2C10H11NO3.C4H10N2/c2*12-9(13)6-7-11-10(14)8-4-2-1-3-5-8;1-2-6-4-3-5-1/h2*1-5H,6-7H2,(H,11,14)(H,12,13);5-6H,1-4H2
InChIKeyFUAIYZQUQFFHRP-UHFFFAOYSA-N
XLogP0.96
TPSA156.86 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 50.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-benzamidoethylsulfanyl)propanoic acid
CID 71051186
3-[(3-hydroxybenzoyl)amino]propanoic acid
CID 16773120
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
N-[4-(1,4-diazepan-1-yl)-4-oxobutyl]benzamide
CID 119418551
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389
3-[[4-(methylamino)benzoyl]amino]propanoic acid
CID 119092205
3-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]propanoic acid
CID 108807616
3-[[4-[(2-hydroxyphenyl)methylamino]benzoyl]amino]propanoic acid
CID 22944663
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
3-[(4-benzamidopyrrolidine-2-carbonyl)amino]propanoic acid
CID 67392953
N-[2-(2-oxo-2-piperazin-1-ylethoxy)ethyl]benzamide
CID 166586198
N-(4-oxopentyl)benzamide
CID 10798281

Frequently Asked Questions

What is the IUPAC name of bis(3-benzamidopropanoic acid);piperazine?
The IUPAC name of bis(3-benzamidopropanoic acid);piperazine (CID 3045072) is bis(3-benzamidopropanoic acid);piperazine.
What is the SMILES notation for bis(3-benzamidopropanoic acid);piperazine?
The canonical SMILES for bis(3-benzamidopropanoic acid);piperazine is C1CNCCN1.O=C(O)CCNC(=O)c1ccccc1.O=C(O)CCNC(=O)c1ccccc1.
What is the InChIKey of bis(3-benzamidopropanoic acid);piperazine?
The InChIKey is FUAIYZQUQFFHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H11NO3.C4H10N2/c2*12-9(13)6-7-11-10(14)8-4-2-1-3-5-8;1-2-6-4-3-5-1/h2*1-5H,6-7H2,(H,11,14)(H,12,13);5-6H,1-4H2.
What are the key properties of bis(3-benzamidopropanoic acid);piperazine?
bis(3-benzamidopropanoic acid);piperazine has a molecular weight of 472.54 g/mol, XLogP of 0.96, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-benzamidopropanoic acid);piperazine is sourced from PubChem (CID 3045072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).