1-[(4-cyclopentylpiperazine-1-carbonyl)amino]cyclobutane-1-carboxylic acid

C15H25N3O3 — CID 81155811

IUPAC1-[(4-cyclopentylpiperazine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H25N3O3/c19-13(20)15(6-3-7-15)16-14(21)18-10-8-17(9-11-18)12-4-1-2-5-12/h12H,1-11H2,(H,16,21)(H,19,20)
InChIKeyDFESWWONUMFBHP-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.26
Rot. Bonds3

About 1-[(4-cyclopentylpiperazine-1-carbonyl)amino]cyclobutane-1-carboxylic acid

1-[(4-cyclopentylpiperazine-1-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81155811) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[(4-cyclopentylpiperazine-1-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-cyclopentylpiperazine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81155811
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-[(4-cyclopentylpiperazine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H25N3O3/c19-13(20)15(6-3-7-15)16-14(21)18-10-8-17(9-11-18)12-4-1-2-5-12/h12H,1-11H2,(H,16,21)(H,19,20)
InChIKeyDFESWWONUMFBHP-UHFFFAOYSA-N
XLogP1.26
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopentylpiperazine-1-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(4-cyclopentylpiperazine-1-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 81155811) is 1-[(4-cyclopentylpiperazine-1-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-cyclopentylpiperazine-1-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(4-cyclopentylpiperazine-1-carbonyl)amino]cyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CCC1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-[(4-cyclopentylpiperazine-1-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is DFESWWONUMFBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c19-13(20)15(6-3-7-15)16-14(21)18-10-8-17(9-11-18)12-4-1-2-5-12/h12H,1-11H2,(H,16,21)(H,19,20).
What are the key properties of 1-[(4-cyclopentylpiperazine-1-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(4-cyclopentylpiperazine-1-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopentylpiperazine-1-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81155811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).