N-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboximidamide

C22H35N5O2 — CID 110058724

IUPACN-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboximidamide
SMILESC=C(C)C/N=C(\NCCc1ccco1)N1CCN(C(C)C(=O)N2CCCC2)CC1
InChIInChI=1S/C22H35N5O2/c1-18(2)17-24-22(23-9-8-20-7-6-16-29-20)27-14-12-25(13-15-27)19(3)21(28)26-10-4-5-11-26/h6-7,16,19H,1,4-5,8-15,17H2,2-3H3,(H,23,24)
InChIKeyISNNAWOITRNKLX-UHFFFAOYSA-N
MW401.56 g/mol
LogP1.97
Rot. Bonds7

About N-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboximidamide

N-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboximidamide (PubChem CID 110058724) has the molecular formula C22H35N5O2 and a molecular weight of 401.56 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboximidamide
PubChem CID110058724
Molecular FormulaC22H35N5O2
Molecular Weight401.56 g/mol
Exact Mass401.28
IUPAC NameN-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboximidamide
SMILESC=C(C)C/N=C(\NCCc1ccco1)N1CCN(C(C)C(=O)N2CCCC2)CC1
InChIInChI=1S/C22H35N5O2/c1-18(2)17-24-22(23-9-8-20-7-6-16-29-20)27-14-12-25(13-15-27)19(3)21(28)26-10-4-5-11-26/h6-7,16,19H,1,4-5,8-15,17H2,2-3H3,(H,23,24)
InChIKeyISNNAWOITRNKLX-UHFFFAOYSA-N
XLogP1.97
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 51.97
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)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

4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)piperazine-1-carboximidamide;hydroiodide
CID 111168144
ethyl 1-[N-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)carbamimidoyl]piperidine-3-carboxylate
CID 110994537
2-[[[2-(furan-2-yl)ethylamino]-piperidin-1-ylmethylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110053887
N-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboximidamide
CID 110057764
1-[2-(furan-2-yl)ethyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(2-methylprop-2-enyl)guanidine
CID 110054348
N-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119144741
N-[2-(furan-2-yl)ethyl]-2,2-dimethyl-N'-(2-methylprop-2-enyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 110057581
4-acetyl-N'-benzyl-N-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 110963562
2-[[[2-(furan-2-yl)ethylamino]-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 110053298
N-[2-(furan-2-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111493012
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 111168515
N-[2-(furan-2-yl)ethyl]-4-phenyl-N'-propylpiperazine-1-carboximidamide
CID 111493410

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboximidamide (CID 110058724) is N-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboximidamide is C=C(C)C/N=C(\NCCc1ccco1)N1CCN(C(C)C(=O)N2CCCC2)CC1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboximidamide?
The InChIKey is ISNNAWOITRNKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O2/c1-18(2)17-24-22(23-9-8-20-7-6-16-29-20)27-14-12-25(13-15-27)19(3)21(28)26-10-4-5-11-26/h6-7,16,19H,1,4-5,8-15,17H2,2-3H3,(H,23,24).
What are the key properties of N-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboximidamide?
N-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboximidamide has a molecular weight of 401.56 g/mol, XLogP of 1.97, 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]-N'-(2-methylprop-2-enyl)-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 110058724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).