N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide

C21H30N4O2 — CID 110053292

IUPACN-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide
SMILESCCC/N=C(\NCCc1ccco1)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C21H30N4O2/c1-3-11-22-21(23-12-10-18-7-6-17-27-18)25-15-13-24(14-16-25)19-8-4-5-9-20(19)26-2/h4-9,17H,3,10-16H2,1-2H3,(H,22,23)
InChIKeyMDYFCOIUDNFSCE-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.01
Rot. Bonds7

About N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide

N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide (PubChem CID 110053292) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide
PubChem CID110053292
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide
SMILESCCC/N=C(\NCCc1ccco1)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C21H30N4O2/c1-3-11-22-21(23-12-10-18-7-6-17-27-18)25-15-13-24(14-16-25)19-8-4-5-9-20(19)26-2/h4-9,17H,3,10-16H2,1-2H3,(H,22,23)
InChIKeyMDYFCOIUDNFSCE-UHFFFAOYSA-N
XLogP3.01
TPSA53.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111133688
N-[2-(furan-2-yl)ethyl]-4-phenyl-N'-propylpiperazine-1-carboximidamide
CID 111493410
N-[2-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110053443
N-amino-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide
CID 116512996
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[2-(furan-2-yl)ethyl]-N'-propylpiperazine-1-carboximidamide
CID 110057948
N-[2-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111541433
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide
CID 111510558
N'-[3-(dimethylamino)propyl]-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111133312
2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110690646
N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110057765
1-[2-(furan-2-yl)ethyl]-3-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-(2-methylsulfanylethyl)guanidine
CID 110059224
N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide
CID 111133433

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide (CID 110053292) is N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide is CCC/N=C(\NCCc1ccco1)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide?
The InChIKey is MDYFCOIUDNFSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-3-11-22-21(23-12-10-18-7-6-17-27-18)25-15-13-24(14-16-25)19-8-4-5-9-20(19)26-2/h4-9,17H,3,10-16H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide?
N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide has a molecular weight of 370.50 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide is sourced from PubChem (CID 110053292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).