2-[2-[(4-propylpiperazine-1-carbonyl)amino]ethoxy]acetic acid

C12H23N3O4 — CID 79464461

IUPAC2-[2-[(4-propylpiperazine-1-carbonyl)amino]ethoxy]acetic acid
SMILESCCCN1CCN(C(=O)NCCOCC(=O)O)CC1
InChIInChI=1S/C12H23N3O4/c1-2-4-14-5-7-15(8-6-14)12(18)13-3-9-19-10-11(16)17/h2-10H2,1H3,(H,13,18)(H,16,17)
InChIKeyMCBCCGRILCMAIZ-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.18
Rot. Bonds7

About 2-[2-[(4-propylpiperazine-1-carbonyl)amino]ethoxy]acetic acid

2-[2-[(4-propylpiperazine-1-carbonyl)amino]ethoxy]acetic acid (PubChem CID 79464461) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[2-[(4-propylpiperazine-1-carbonyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-propylpiperazine-1-carbonyl)amino]ethoxy]acetic acid
PubChem CID79464461
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name2-[2-[(4-propylpiperazine-1-carbonyl)amino]ethoxy]acetic acid
SMILESCCCN1CCN(C(=O)NCCOCC(=O)O)CC1
InChIInChI=1S/C12H23N3O4/c1-2-4-14-5-7-15(8-6-14)12(18)13-3-9-19-10-11(16)17/h2-10H2,1H3,(H,13,18)(H,16,17)
InChIKeyMCBCCGRILCMAIZ-UHFFFAOYSA-N
XLogP-0.18
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethoxy]acetic acid
CID 79464466
2-[2-[[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]amino]ethoxy]acetic acid
CID 107224020
2-[2-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]ethoxy]acetic acid
CID 79464404
3-[4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]piperazin-1-yl]propanoic acid
CID 106239250
2-[2-[(4-propylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
CID 79462965
2-[2-[(4-methylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
CID 79457260
2-[2-[(4-cyclopentylpiperazine-1-carbonyl)amino]ethoxy]acetic acid
CID 79463898
2-[2-[(4,4-dimethylazepane-1-carbonyl)amino]ethoxy]acetic acid
CID 79463859
2-[2-[(4-methylpiperazin-1-yl)carbamoylamino]ethoxy]acetic acid
CID 83020738
2-[2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]ethoxy]acetic acid
CID 106315939
4-(2-hydroxyethyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 108890532
2-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethoxy]acetic acid
CID 114411797

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-propylpiperazine-1-carbonyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-propylpiperazine-1-carbonyl)amino]ethoxy]acetic acid (CID 79464461) is 2-[2-[(4-propylpiperazine-1-carbonyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-propylpiperazine-1-carbonyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-propylpiperazine-1-carbonyl)amino]ethoxy]acetic acid is CCCN1CCN(C(=O)NCCOCC(=O)O)CC1.
What is the InChIKey of 2-[2-[(4-propylpiperazine-1-carbonyl)amino]ethoxy]acetic acid?
The InChIKey is MCBCCGRILCMAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-2-4-14-5-7-15(8-6-14)12(18)13-3-9-19-10-11(16)17/h2-10H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-[2-[(4-propylpiperazine-1-carbonyl)amino]ethoxy]acetic acid?
2-[2-[(4-propylpiperazine-1-carbonyl)amino]ethoxy]acetic acid has a molecular weight of 273.33 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-propylpiperazine-1-carbonyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79464461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).