5-chloro-N-[3-(3-oxopiperazin-1-yl)propyl]furan-2-carboxamide

C12H16ClN3O3 — CID 118790185

IUPAC5-chloro-N-[3-(3-oxopiperazin-1-yl)propyl]furan-2-carboxamide
SMILESO=C1CN(CCCNC(=O)c2ccc(Cl)o2)CCN1
InChIInChI=1S/C12H16ClN3O3/c13-10-3-2-9(19-10)12(18)15-4-1-6-16-7-5-14-11(17)8-16/h2-3H,1,4-8H2,(H,14,17)(H,15,18)
InChIKeyHMVFATIOWXDSSH-UHFFFAOYSA-N
MW285.73 g/mol
LogP0.48
Rot. Bonds5

About 5-chloro-N-[3-(3-oxopiperazin-1-yl)propyl]furan-2-carboxamide

5-chloro-N-[3-(3-oxopiperazin-1-yl)propyl]furan-2-carboxamide (PubChem CID 118790185) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 5-chloro-N-[3-(3-oxopiperazin-1-yl)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(3-oxopiperazin-1-yl)propyl]furan-2-carboxamide
PubChem CID118790185
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name5-chloro-N-[3-(3-oxopiperazin-1-yl)propyl]furan-2-carboxamide
SMILESO=C1CN(CCCNC(=O)c2ccc(Cl)o2)CCN1
InChIInChI=1S/C12H16ClN3O3/c13-10-3-2-9(19-10)12(18)15-4-1-6-16-7-5-14-11(17)8-16/h2-3H,1,4-8H2,(H,14,17)(H,15,18)
InChIKeyHMVFATIOWXDSSH-UHFFFAOYSA-N
XLogP0.48
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-hydroxy-3-methylbutyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
CID 56896027
3-hydroxy-2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
CID 118770928
5-methylsulfanyl-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride
CID 119392043
1-(2-fluorophenyl)-2,2-dimethyl-N-[3-(3-oxopiperazin-1-yl)propyl]cyclopropane-1-carboxamide
CID 77089234
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43805782
5-phenoxy-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide
CID 119392648
2-(benzotriazol-2-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]acetamide
CID 118769580
5-chloro-N-(5,5,5-trifluoropentyl)furan-2-carboxamide
CID 103839345
2-(3-methylphenyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
CID 118792289
2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide
CID 74245117
N-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 74232639
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119394241

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(3-oxopiperazin-1-yl)propyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-(3-oxopiperazin-1-yl)propyl]furan-2-carboxamide (CID 118790185) is 5-chloro-N-[3-(3-oxopiperazin-1-yl)propyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(3-oxopiperazin-1-yl)propyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(3-oxopiperazin-1-yl)propyl]furan-2-carboxamide is O=C1CN(CCCNC(=O)c2ccc(Cl)o2)CCN1.
What is the InChIKey of 5-chloro-N-[3-(3-oxopiperazin-1-yl)propyl]furan-2-carboxamide?
The InChIKey is HMVFATIOWXDSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c13-10-3-2-9(19-10)12(18)15-4-1-6-16-7-5-14-11(17)8-16/h2-3H,1,4-8H2,(H,14,17)(H,15,18).
What are the key properties of 5-chloro-N-[3-(3-oxopiperazin-1-yl)propyl]furan-2-carboxamide?
5-chloro-N-[3-(3-oxopiperazin-1-yl)propyl]furan-2-carboxamide has a molecular weight of 285.73 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(3-oxopiperazin-1-yl)propyl]furan-2-carboxamide is sourced from PubChem (CID 118790185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).