5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide

C13H22N4O2 — CID 55214583

IUPAC5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide
SMILESCCCN1CCN(Cc2ccc(C(=O)NN)o2)CC1
InChIInChI=1S/C13H22N4O2/c1-2-5-16-6-8-17(9-7-16)10-11-3-4-12(19-11)13(18)15-14/h3-4H,2,5-10,14H2,1H3,(H,15,18)
InChIKeyUDLFYRGGMXDFDU-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.41
Rot. Bonds5

About 5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide

5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 55214583) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide
PubChem CID55214583
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide
SMILESCCCN1CCN(Cc2ccc(C(=O)NN)o2)CC1
InChIInChI=1S/C13H22N4O2/c1-2-5-16-6-8-17(9-7-16)10-11-3-4-12(19-11)13(18)15-14/h3-4H,2,5-10,14H2,1H3,(H,15,18)
InChIKeyUDLFYRGGMXDFDU-UHFFFAOYSA-N
XLogP0.41
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 55213258
5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 63577895
5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 79937009
5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 20992392
5-[(2-oxo-3-propylimidazol-1-yl)methyl]furan-2-carbohydrazide
CID 80582724
5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]furan-2-carbohydrazide
CID 107458810
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid
CID 139348467
N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414016
5-[[4-(2-carboxyethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid
CID 82323103
5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 102968693

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide (CID 55214583) is 5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide is CCCN1CCN(Cc2ccc(C(=O)NN)o2)CC1.
What is the InChIKey of 5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is UDLFYRGGMXDFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-5-16-6-8-17(9-7-16)10-11-3-4-12(19-11)13(18)15-14/h3-4H,2,5-10,14H2,1H3,(H,15,18).
What are the key properties of 5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide?
5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 266.34 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 55214583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).