2-(4-butylpiperazine-1-carbonyl)azetidine-1-carboxylic acid

C13H23N3O3 — CID 175527937

IUPAC2-(4-butylpiperazine-1-carbonyl)azetidine-1-carboxylic acid
SMILESCCCCN1CCN(C(=O)C2CCN2C(=O)O)CC1
InChIInChI=1S/C13H23N3O3/c1-2-3-5-14-7-9-15(10-8-14)12(17)11-4-6-16(11)13(18)19/h11H,2-10H2,1H3,(H,18,19)
InChIKeyHCJVYZATIXAKNV-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.68
Rot. Bonds4

About 2-(4-butylpiperazine-1-carbonyl)azetidine-1-carboxylic acid

2-(4-butylpiperazine-1-carbonyl)azetidine-1-carboxylic acid (PubChem CID 175527937) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(4-butylpiperazine-1-carbonyl)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-butylpiperazine-1-carbonyl)azetidine-1-carboxylic acid
PubChem CID175527937
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-(4-butylpiperazine-1-carbonyl)azetidine-1-carboxylic acid
SMILESCCCCN1CCN(C(=O)C2CCN2C(=O)O)CC1
InChIInChI=1S/C13H23N3O3/c1-2-3-5-14-7-9-15(10-8-14)12(17)11-4-6-16(11)13(18)19/h11H,2-10H2,1H3,(H,18,19)
InChIKeyHCJVYZATIXAKNV-UHFFFAOYSA-N
XLogP0.68
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-octylpiperazine-1-carboxylic acid
CID 22047855
cyclobutyl-(4-pentylpiperazin-1-yl)methanone
CID 113075121
(2R)-2-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazine-1-carbonyl]azetidine-1-carboxylic acid
CID 70032354
1-[2-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 53015941
(E)-4-(4-butylpiperazin-1-yl)-4-oxobut-2-enoic acid
CID 20795310
1-(4-butylpiperazin-1-yl)-2-ethylbutan-1-one
CID 113072769
4-nonylpiperazine-1-carboxamide
CID 13213299
sodium 4-butylpiperazine-1-carbodithioate
CID 23665028
2-butyl-3-hydroxypyrrolidine-1-carboxylic acid
CID 70108926
1-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 42744753
1-octylpiperidine-4-carboxylic acid
CID 14745626
1-(4-octylpiperazin-1-yl)butan-1-one
CID 170041976

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylpiperazine-1-carbonyl)azetidine-1-carboxylic acid?
The IUPAC name of 2-(4-butylpiperazine-1-carbonyl)azetidine-1-carboxylic acid (CID 175527937) is 2-(4-butylpiperazine-1-carbonyl)azetidine-1-carboxylic acid.
What is the SMILES notation for 2-(4-butylpiperazine-1-carbonyl)azetidine-1-carboxylic acid?
The canonical SMILES for 2-(4-butylpiperazine-1-carbonyl)azetidine-1-carboxylic acid is CCCCN1CCN(C(=O)C2CCN2C(=O)O)CC1.
What is the InChIKey of 2-(4-butylpiperazine-1-carbonyl)azetidine-1-carboxylic acid?
The InChIKey is HCJVYZATIXAKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-2-3-5-14-7-9-15(10-8-14)12(17)11-4-6-16(11)13(18)19/h11H,2-10H2,1H3,(H,18,19).
What are the key properties of 2-(4-butylpiperazine-1-carbonyl)azetidine-1-carboxylic acid?
2-(4-butylpiperazine-1-carbonyl)azetidine-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylpiperazine-1-carbonyl)azetidine-1-carboxylic acid is sourced from PubChem (CID 175527937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).