cyclopentanecarboxylic acid;cyclopentyl(piperazin-1-yl)methanone

C16H28N2O3 — CID 159568755

IUPACcyclopentanecarboxylic acid;cyclopentyl(piperazin-1-yl)methanone
SMILESO=C(C1CCCC1)N1CCNCC1.O=C(O)C1CCCC1
InChIInChI=1S/C10H18N2O.C6H10O2/c13-10(9-3-1-2-4-9)12-7-5-11-6-8-12;7-6(8)5-3-1-2-4-5/h9,11H,1-8H2;5H,1-4H2,(H,7,8)
InChIKeyMHNUJWJBQOOHAJ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.87
Rot. Bonds2

About cyclopentanecarboxylic acid;cyclopentyl(piperazin-1-yl)methanone

cyclopentanecarboxylic acid;cyclopentyl(piperazin-1-yl)methanone (PubChem CID 159568755) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is cyclopentanecarboxylic acid;cyclopentyl(piperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclopentanecarboxylic acid;cyclopentyl(piperazin-1-yl)methanone
PubChem CID159568755
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Namecyclopentanecarboxylic acid;cyclopentyl(piperazin-1-yl)methanone
SMILESO=C(C1CCCC1)N1CCNCC1.O=C(O)C1CCCC1
InChIInChI=1S/C10H18N2O.C6H10O2/c13-10(9-3-1-2-4-9)12-7-5-11-6-8-12;7-6(8)5-3-1-2-4-5/h9,11H,1-8H2;5H,1-4H2,(H,7,8)
InChIKeyMHNUJWJBQOOHAJ-UHFFFAOYSA-N
XLogP1.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentanecarboxylic acid;cyclopentyl(piperazin-1-yl)methanone?
The IUPAC name of cyclopentanecarboxylic acid;cyclopentyl(piperazin-1-yl)methanone (CID 159568755) is cyclopentanecarboxylic acid;cyclopentyl(piperazin-1-yl)methanone.
What is the SMILES notation for cyclopentanecarboxylic acid;cyclopentyl(piperazin-1-yl)methanone?
The canonical SMILES for cyclopentanecarboxylic acid;cyclopentyl(piperazin-1-yl)methanone is O=C(C1CCCC1)N1CCNCC1.O=C(O)C1CCCC1.
What is the InChIKey of cyclopentanecarboxylic acid;cyclopentyl(piperazin-1-yl)methanone?
The InChIKey is MHNUJWJBQOOHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.C6H10O2/c13-10(9-3-1-2-4-9)12-7-5-11-6-8-12;7-6(8)5-3-1-2-4-5/h9,11H,1-8H2;5H,1-4H2,(H,7,8).
What are the key properties of cyclopentanecarboxylic acid;cyclopentyl(piperazin-1-yl)methanone?
cyclopentanecarboxylic acid;cyclopentyl(piperazin-1-yl)methanone has a molecular weight of 296.41 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanecarboxylic acid;cyclopentyl(piperazin-1-yl)methanone is sourced from PubChem (CID 159568755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).