N-(2-chloroethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide

C13H16ClN3O4 — CID 108514040

IUPACN-(2-chloroethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
SMILESO=C(NCCCl)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C13H16ClN3O4/c14-3-4-15-11(18)13(20)17-7-5-16(6-8-17)12(19)10-2-1-9-21-10/h1-2,9H,3-8H2,(H,15,18)
InChIKeyBLNGSVYTAZIXGC-UHFFFAOYSA-N
MW313.74 g/mol
LogP-0.08
Rot. Bonds3

About N-(2-chloroethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide

N-(2-chloroethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 108514040) has the molecular formula C13H16ClN3O4 and a molecular weight of 313.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID108514040
Molecular FormulaC13H16ClN3O4
Molecular Weight313.74 g/mol
Exact Mass313.08
IUPAC NameN-(2-chloroethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
SMILESO=C(NCCCl)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C13H16ClN3O4/c14-3-4-15-11(18)13(20)17-7-5-16(6-8-17)12(19)10-2-1-9-21-10/h1-2,9H,3-8H2,(H,15,18)
InChIKeyBLNGSVYTAZIXGC-UHFFFAOYSA-N
XLogP-0.08
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108522264
2-(4-benzylpiperazin-1-yl)-N-(2-chloroethyl)-2-oxoacetamide
CID 108513856
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51305621
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-hydroxyphenyl)-2-oxoacetamide
CID 108502139
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108530988
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
N-(4-tert-butylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108529847
1-[4-(2-aminoethyl)piperazin-1-yl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 108518065
azepan-1-yl(furan-2-yl)methanone
CID 5200992
N-[4-(dimethylamino)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108527945
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502696

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(2-chloroethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide (CID 108514040) is N-(2-chloroethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2-chloroethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(2-chloroethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide is O=C(NCCCl)C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-(2-chloroethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is BLNGSVYTAZIXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O4/c14-3-4-15-11(18)13(20)17-7-5-16(6-8-17)12(19)10-2-1-9-21-10/h1-2,9H,3-8H2,(H,15,18).
What are the key properties of N-(2-chloroethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
N-(2-chloroethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 313.74 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108514040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).