N'-butyl-N-[2-(furan-2-yl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide

C21H35N5O3 — CID 111367585

IUPACN'-butyl-N-[2-(furan-2-yl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide
SMILESCCCC/N=C(\NCCc1ccco1)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C21H35N5O3/c1-2-3-7-22-21(23-8-6-19-5-4-15-29-19)26-11-9-24(10-12-26)18-20(27)25-13-16-28-17-14-25/h4-5,15H,2-3,6-14,16-18H2,1H3,(H,22,23)
InChIKeyJJHWWTUXBWDIAG-UHFFFAOYSA-N
MW405.54 g/mol
LogP1.04
Rot. Bonds8

About N'-butyl-N-[2-(furan-2-yl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide

N'-butyl-N-[2-(furan-2-yl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide (PubChem CID 111367585) has the molecular formula C21H35N5O3 and a molecular weight of 405.54 g/mol. Its IUPAC name is N'-butyl-N-[2-(furan-2-yl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-butyl-N-[2-(furan-2-yl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide
PubChem CID111367585
Molecular FormulaC21H35N5O3
Molecular Weight405.54 g/mol
Exact Mass405.27
IUPAC NameN'-butyl-N-[2-(furan-2-yl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide
SMILESCCCC/N=C(\NCCc1ccco1)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C21H35N5O3/c1-2-3-7-22-21(23-8-6-19-5-4-15-29-19)26-11-9-24(10-12-26)18-20(27)25-13-16-28-17-14-25/h4-5,15H,2-3,6-14,16-18H2,1H3,(H,22,23)
InChIKeyJJHWWTUXBWDIAG-UHFFFAOYSA-N
XLogP1.04
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-butyl-N-[2-(furan-2-yl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(furan-2-yl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)-N'-(thiophen-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 111367602
N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111419870
ethyl 4-[N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)carbamimidoyl]piperazine-1-carboxylate
CID 111163869
4-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide
CID 111419615
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide
CID 111167781
N'-[2-(furan-2-yl)ethyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2-phenylethyl)piperazine-1-carboximidamide
CID 110053676
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111167780
N-cyclopropyl-2-[4-[N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]carbamimidoyl]piperazin-1-yl]acetamide
CID 111378968
methyl 1-[N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)carbamimidoyl]piperidine-4-carboxylate
CID 111252705
N-[2-(furan-2-yl)ethyl]-4-phenyl-N'-propylpiperazine-1-carboximidamide
CID 111493410
N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboximidamide
CID 110053684
2-[4-[N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]carbamimidoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111412165

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-[2-(furan-2-yl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide?
The IUPAC name of N'-butyl-N-[2-(furan-2-yl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide (CID 111367585) is N'-butyl-N-[2-(furan-2-yl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-butyl-N-[2-(furan-2-yl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-butyl-N-[2-(furan-2-yl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide is CCCC/N=C(\NCCc1ccco1)N1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of N'-butyl-N-[2-(furan-2-yl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide?
The InChIKey is JJHWWTUXBWDIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O3/c1-2-3-7-22-21(23-8-6-19-5-4-15-29-19)26-11-9-24(10-12-26)18-20(27)25-13-16-28-17-14-25/h4-5,15H,2-3,6-14,16-18H2,1H3,(H,22,23).
What are the key properties of N'-butyl-N-[2-(furan-2-yl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide?
N'-butyl-N-[2-(furan-2-yl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide has a molecular weight of 405.54 g/mol, XLogP of 1.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-[2-(furan-2-yl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111367585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).