cyclopropyl-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

C13H16N2O3 — CID 1203008

IUPACcyclopropyl-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H16N2O3/c16-12(10-3-4-10)14-5-7-15(8-6-14)13(17)11-2-1-9-18-11/h1-2,9-10H,3-8H2
InChIKeySMBREKYBPARCFW-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.97
Rot. Bonds2

About cyclopropyl-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

cyclopropyl-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 1203008) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is cyclopropyl-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
PubChem CID1203008
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namecyclopropyl-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H16N2O3/c16-12(10-3-4-10)14-5-7-15(8-6-14)13(17)11-2-1-9-18-11/h1-2,9-10H,3-8H2
InChIKeySMBREKYBPARCFW-UHFFFAOYSA-N
XLogP0.97
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (CID 1203008) is cyclopropyl-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is SMBREKYBPARCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(10-3-4-10)14-5-7-15(8-6-14)13(17)11-2-1-9-18-11/h1-2,9-10H,3-8H2.
What are the key properties of cyclopropyl-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
cyclopropyl-[4-(furan-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 248.28 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1203008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).