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

C21H31IN4O2 — CID 110053443

IUPACN-[2-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
SMILESCCC/N=C(\NCCc1ccco1)N1CCN(c2ccc(OC)cc2)CC1.I
InChIInChI=1S/C21H30N4O2.HI/c1-3-11-22-21(23-12-10-20-5-4-17-27-20)25-15-13-24(14-16-25)18-6-8-19(26-2)9-7-18;/h4-9,17H,3,10-16H2,1-2H3,(H,22,23);1H
InChIKeyRYHQEJJUVPNQQI-UHFFFAOYSA-N
MW498.41 g/mol
LogP3.63
Rot. Bonds7

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

N-[2-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 110053443) has the molecular formula C21H31IN4O2 and a molecular weight of 498.41 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
PubChem CID110053443
Molecular FormulaC21H31IN4O2
Molecular Weight498.41 g/mol
Exact Mass498.15
IUPAC NameN-[2-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
SMILESCCC/N=C(\NCCc1ccco1)N1CCN(c2ccc(OC)cc2)CC1.I
InChIInChI=1S/C21H30N4O2.HI/c1-3-11-22-21(23-12-10-20-5-4-17-27-20)25-15-13-24(14-16-25)18-6-8-19(26-2)9-7-18;/h4-9,17H,3,10-16H2,1-2H3,(H,22,23);1H
InChIKeyRYHQEJJUVPNQQI-UHFFFAOYSA-N
XLogP3.63
TPSA53.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111541433
N-[2-(furan-2-yl)ethyl]-4-phenyl-N'-propylpiperazine-1-carboximidamide
CID 111493410
N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide
CID 110053292
N'-[2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboximidamide
CID 111492934
N-[2-(furan-2-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111493012
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[2-(furan-2-yl)ethyl]-N'-propylpiperazine-1-carboximidamide
CID 110057948
1-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-2-propylguanidine
CID 111541292
methyl 1-[N'-[2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111541551
N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110057765
N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111133688
N-ethyl-4-(4-methoxyphenyl)-N'-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111243358
2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 110057565

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide (CID 110053443) is N-[2-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide is CCC/N=C(\NCCc1ccco1)N1CCN(c2ccc(OC)cc2)CC1.I.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is RYHQEJJUVPNQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2.HI/c1-3-11-22-21(23-12-10-20-5-4-17-27-20)25-15-13-24(14-16-25)18-6-8-19(26-2)9-7-18;/h4-9,17H,3,10-16H2,1-2H3,(H,22,23);1H.
What are the key properties of N-[2-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide?
N-[2-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 498.41 g/mol, XLogP of 3.63, 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-(4-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110053443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).