4-(3-fluorocyclopentyl)-3-oxopiperazine-1-carboxylic acid

C10H15FN2O3 — CID 90848636

IUPAC4-(3-fluorocyclopentyl)-3-oxopiperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C2CCC(F)C2)C(=O)C1
InChIInChI=1S/C10H15FN2O3/c11-7-1-2-8(5-7)13-4-3-12(10(15)16)6-9(13)14/h7-8H,1-6H2,(H,15,16)
InChIKeyHUHCTTCZYDYVKH-UHFFFAOYSA-N
MW230.24 g/mol
LogP0.70
Rot. Bonds1

About 4-(3-fluorocyclopentyl)-3-oxopiperazine-1-carboxylic acid

4-(3-fluorocyclopentyl)-3-oxopiperazine-1-carboxylic acid (PubChem CID 90848636) has the molecular formula C10H15FN2O3 and a molecular weight of 230.24 g/mol. Its IUPAC name is 4-(3-fluorocyclopentyl)-3-oxopiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluorocyclopentyl)-3-oxopiperazine-1-carboxylic acid
PubChem CID90848636
Molecular FormulaC10H15FN2O3
Molecular Weight230.24 g/mol
Exact Mass230.11
IUPAC Name4-(3-fluorocyclopentyl)-3-oxopiperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C2CCC(F)C2)C(=O)C1
InChIInChI=1S/C10H15FN2O3/c11-7-1-2-8(5-7)13-4-3-12(10(15)16)6-9(13)14/h7-8H,1-6H2,(H,15,16)
InChIKeyHUHCTTCZYDYVKH-UHFFFAOYSA-N
XLogP0.70
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorocyclopentyl)-3-oxopiperazine-1-carboxylic acid?
The IUPAC name of 4-(3-fluorocyclopentyl)-3-oxopiperazine-1-carboxylic acid (CID 90848636) is 4-(3-fluorocyclopentyl)-3-oxopiperazine-1-carboxylic acid.
What is the SMILES notation for 4-(3-fluorocyclopentyl)-3-oxopiperazine-1-carboxylic acid?
The canonical SMILES for 4-(3-fluorocyclopentyl)-3-oxopiperazine-1-carboxylic acid is O=C(O)N1CCN(C2CCC(F)C2)C(=O)C1.
What is the InChIKey of 4-(3-fluorocyclopentyl)-3-oxopiperazine-1-carboxylic acid?
The InChIKey is HUHCTTCZYDYVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3/c11-7-1-2-8(5-7)13-4-3-12(10(15)16)6-9(13)14/h7-8H,1-6H2,(H,15,16).
What are the key properties of 4-(3-fluorocyclopentyl)-3-oxopiperazine-1-carboxylic acid?
4-(3-fluorocyclopentyl)-3-oxopiperazine-1-carboxylic acid has a molecular weight of 230.24 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorocyclopentyl)-3-oxopiperazine-1-carboxylic acid is sourced from PubChem (CID 90848636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).