1-piperazin-1-ylcyclopentane-1-carboxylic acid

C10H18N2O2 — CID 54593128

IUPAC1-piperazin-1-ylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(N2CCNCC2)CCCC1
InChIInChI=1S/C10H18N2O2/c13-9(14)10(3-1-2-4-10)12-7-5-11-6-8-12/h11H,1-8H2,(H,13,14)
InChIKeyGQZDCAGCXOATAZ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.29
Rot. Bonds2

About 1-piperazin-1-ylcyclopentane-1-carboxylic acid

1-piperazin-1-ylcyclopentane-1-carboxylic acid (PubChem CID 54593128) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-piperazin-1-ylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-piperazin-1-ylcyclopentane-1-carboxylic acid
PubChem CID54593128
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-piperazin-1-ylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(N2CCNCC2)CCCC1
InChIInChI=1S/C10H18N2O2/c13-9(14)10(3-1-2-4-10)12-7-5-11-6-8-12/h11H,1-8H2,(H,13,14)
InChIKeyGQZDCAGCXOATAZ-UHFFFAOYSA-N
XLogP0.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-piperazin-1-ylcyclopentane-1-carboxylic acid (CID 54593128) is 1-piperazin-1-ylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-piperazin-1-ylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-piperazin-1-ylcyclopentane-1-carboxylic acid is O=C(O)C1(N2CCNCC2)CCCC1.
What is the InChIKey of 1-piperazin-1-ylcyclopentane-1-carboxylic acid?
The InChIKey is GQZDCAGCXOATAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-9(14)10(3-1-2-4-10)12-7-5-11-6-8-12/h11H,1-8H2,(H,13,14).
What are the key properties of 1-piperazin-1-ylcyclopentane-1-carboxylic acid?
1-piperazin-1-ylcyclopentane-1-carboxylic acid has a molecular weight of 198.27 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 54593128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).