4-(3,4-dimethylphenyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)piperazine-1-carboximidamide

C24H34N4O2 — CID 110061104

IUPAC4-(3,4-dimethylphenyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)piperazine-1-carboximidamide
SMILESCc1ccc(N2CCN(/C(=N/CC3CCOC3)NCCc3ccco3)CC2)cc1C
InChIInChI=1S/C24H34N4O2/c1-19-5-6-22(16-20(19)2)27-10-12-28(13-11-27)24(26-17-21-8-15-29-18-21)25-9-7-23-4-3-14-30-23/h3-6,14,16,21H,7-13,15,17-18H2,1-2H3,(H,25,26)
InChIKeyUDRDYIRZHSEOQV-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.24
Rot. Bonds6

About 4-(3,4-dimethylphenyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)piperazine-1-carboximidamide

4-(3,4-dimethylphenyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)piperazine-1-carboximidamide (PubChem CID 110061104) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)piperazine-1-carboximidamide
PubChem CID110061104
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name4-(3,4-dimethylphenyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)piperazine-1-carboximidamide
SMILESCc1ccc(N2CCN(/C(=N/CC3CCOC3)NCCc3ccco3)CC2)cc1C
InChIInChI=1S/C24H34N4O2/c1-19-5-6-22(16-20(19)2)27-10-12-28(13-11-27)24(26-17-21-8-15-29-18-21)25-9-7-23-4-3-14-30-23/h3-6,14,16,21H,7-13,15,17-18H2,1-2H3,(H,25,26)
InChIKeyUDRDYIRZHSEOQV-UHFFFAOYSA-N
XLogP3.24
TPSA53.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(2-bicyclo[2.2.1]heptanyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)piperazine-1-carboximidamide
CID 110056710
N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide
CID 110056190
N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(oxolan-3-ylmethyl)azetidine-1-carboximidamide
CID 110057168
3-(ethoxymethyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110056641
2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 110057557
N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(oxolan-3-ylmethyl)morpholine-4-carboximidamide
CID 110059054
N-[2-(furan-2-yl)ethyl]-3-methyl-N'-(oxolan-3-ylmethyl)-3-propylpiperidine-1-carboximidamide
CID 110057590
N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)-6-propoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110060565
N-[2-(furan-2-yl)ethyl]-3-imidazol-1-yl-4-methyl-N'-(oxolan-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 110059605
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110056547
N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 110053405
N-[2-(furan-2-yl)ethyl]-4-phenyl-N'-propylpiperazine-1-carboximidamide
CID 111493410

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)piperazine-1-carboximidamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)piperazine-1-carboximidamide (CID 110061104) is 4-(3,4-dimethylphenyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)piperazine-1-carboximidamide is Cc1ccc(N2CCN(/C(=N/CC3CCOC3)NCCc3ccco3)CC2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)piperazine-1-carboximidamide?
The InChIKey is UDRDYIRZHSEOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-19-5-6-22(16-20(19)2)27-10-12-28(13-11-27)24(26-17-21-8-15-29-18-21)25-9-7-23-4-3-14-30-23/h3-6,14,16,21H,7-13,15,17-18H2,1-2H3,(H,25,26).
What are the key properties of 4-(3,4-dimethylphenyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)piperazine-1-carboximidamide?
4-(3,4-dimethylphenyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)piperazine-1-carboximidamide has a molecular weight of 410.56 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 110061104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).