N-(5-chlorofuran-2-yl)piperazine-1-carboxamide

C9H12ClN3O2 — CID 69024726

IUPACN-(5-chlorofuran-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)o1)N1CCNCC1
InChIInChI=1S/C9H12ClN3O2/c10-7-1-2-8(15-7)12-9(14)13-5-3-11-4-6-13/h1-2,11H,3-6H2,(H,12,14)
InChIKeyYCRVPNZBXFBKAK-UHFFFAOYSA-N
MW229.67 g/mol
LogP1.37
Rot. Bonds1

About N-(5-chlorofuran-2-yl)piperazine-1-carboxamide

N-(5-chlorofuran-2-yl)piperazine-1-carboxamide (PubChem CID 69024726) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is N-(5-chlorofuran-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chlorofuran-2-yl)piperazine-1-carboxamide
PubChem CID69024726
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC NameN-(5-chlorofuran-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)o1)N1CCNCC1
InChIInChI=1S/C9H12ClN3O2/c10-7-1-2-8(15-7)12-9(14)13-5-3-11-4-6-13/h1-2,11H,3-6H2,(H,12,14)
InChIKeyYCRVPNZBXFBKAK-UHFFFAOYSA-N
XLogP1.37
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chlorofuran-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(5-chlorofuran-2-yl)piperazine-1-carboxamide (CID 69024726) is N-(5-chlorofuran-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(5-chlorofuran-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(5-chlorofuran-2-yl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)o1)N1CCNCC1.
What is the InChIKey of N-(5-chlorofuran-2-yl)piperazine-1-carboxamide?
The InChIKey is YCRVPNZBXFBKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c10-7-1-2-8(15-7)12-9(14)13-5-3-11-4-6-13/h1-2,11H,3-6H2,(H,12,14).
What are the key properties of N-(5-chlorofuran-2-yl)piperazine-1-carboxamide?
N-(5-chlorofuran-2-yl)piperazine-1-carboxamide has a molecular weight of 229.67 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chlorofuran-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 69024726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).