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

C20H28N4O — CID 111493410

IUPACN-[2-(furan-2-yl)ethyl]-4-phenyl-N'-propylpiperazine-1-carboximidamide
SMILESCCC/N=C(\NCCc1ccco1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H28N4O/c1-2-11-21-20(22-12-10-19-9-6-17-25-19)24-15-13-23(14-16-24)18-7-4-3-5-8-18/h3-9,17H,2,10-16H2,1H3,(H,21,22)
InChIKeyYVPALYNZECKRPL-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.00
Rot. Bonds6

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

N-[2-(furan-2-yl)ethyl]-4-phenyl-N'-propylpiperazine-1-carboximidamide (PubChem CID 111493410) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-4-phenyl-N'-propylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-4-phenyl-N'-propylpiperazine-1-carboximidamide
PubChem CID111493410
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[2-(furan-2-yl)ethyl]-4-phenyl-N'-propylpiperazine-1-carboximidamide
SMILESCCC/N=C(\NCCc1ccco1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H28N4O/c1-2-11-21-20(22-12-10-19-9-6-17-25-19)24-15-13-23(14-16-24)18-7-4-3-5-8-18/h3-9,17H,2,10-16H2,1H3,(H,21,22)
InChIKeyYVPALYNZECKRPL-UHFFFAOYSA-N
XLogP3.00
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110053443
N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide
CID 110053292
N-[2-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111541433
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]-4-(1,2-oxazol-3-ylmethyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110057765
N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111541116
4-acetyl-N'-benzyl-N-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 110963562
N'-butyl-N-[2-(furan-2-yl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide
CID 111367585
4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)piperazine-1-carboximidamide
CID 111539277
2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 110057565
N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-propylpyrrolidine-1-carboximidamide;hydroiodide
CID 110056319
N-[2-(furan-2-yl)ethyl]-N'-(2-methylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 110053396

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-4-phenyl-N'-propylpiperazine-1-carboximidamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-4-phenyl-N'-propylpiperazine-1-carboximidamide (CID 111493410) is N-[2-(furan-2-yl)ethyl]-4-phenyl-N'-propylpiperazine-1-carboximidamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-4-phenyl-N'-propylpiperazine-1-carboximidamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-4-phenyl-N'-propylpiperazine-1-carboximidamide is CCC/N=C(\NCCc1ccco1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-4-phenyl-N'-propylpiperazine-1-carboximidamide?
The InChIKey is YVPALYNZECKRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-2-11-21-20(22-12-10-19-9-6-17-25-19)24-15-13-23(14-16-24)18-7-4-3-5-8-18/h3-9,17H,2,10-16H2,1H3,(H,21,22).
What are the key properties of N-[2-(furan-2-yl)ethyl]-4-phenyl-N'-propylpiperazine-1-carboximidamide?
N-[2-(furan-2-yl)ethyl]-4-phenyl-N'-propylpiperazine-1-carboximidamide has a molecular weight of 340.47 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-4-phenyl-N'-propylpiperazine-1-carboximidamide is sourced from PubChem (CID 111493410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).