N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide

C17H24N6O — CID 136727066

IUPACN'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide
SMILESC=CCN/C(=N\CCc1ccco1)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C17H24N6O/c1-2-8-18-17(19-9-5-15-4-3-12-24-15)23-10-6-14(7-11-23)16-20-13-21-22-16/h2-4,12-14H,1,5-11H2,(H,18,19)(H,20,21,22)
InChIKeyICOGMVMOWGNMJH-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.95
Rot. Bonds6

About N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide

N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide (PubChem CID 136727066) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide
PubChem CID136727066
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide
SMILESC=CCN/C(=N\CCc1ccco1)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C17H24N6O/c1-2-8-18-17(19-9-5-15-4-3-12-24-15)23-10-6-14(7-11-23)16-20-13-21-22-16/h2-4,12-14H,1,5-11H2,(H,18,19)(H,20,21,22)
InChIKeyICOGMVMOWGNMJH-UHFFFAOYSA-N
XLogP1.95
TPSA82.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide
CID 110057464
methyl 1-[N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylcarbamimidoyl]piperidine-4-carboxylate
CID 136924166
2-[1-[N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylcarbamimidoyl]piperidin-4-yl]-N-methylacetamide
CID 136727088
4-benzyl-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperazine-1-carboximidamide
CID 136925072
4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperazine-1-carboximidamide;hydroiodide
CID 136920644
N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 136727011
3-(cyclopentylsulfamoyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperidine-1-carboximidamide
CID 136727250
2-ethyl-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylthiomorpholine-4-carboximidamide
CID 136727070
N'-[2-(furan-2-yl)ethyl]-4-[3-[2-methoxyethyl(methyl)amino]propyl]-N-prop-2-enylpiperidine-1-carboximidamide;hydroiodide
CID 136727227
N'-[2-(furan-2-yl)ethyl]-3-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-7-carboximidamide
CID 137032152
N'-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethylsulfonyl)-N-prop-2-enylpiperazine-1-carboximidamide
CID 136727102
N-cyclohexyl-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956337

Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide?
The IUPAC name of N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide (CID 136727066) is N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide is C=CCN/C(=N\CCc1ccco1)N1CCC(c2ncn[nH]2)CC1.
What is the InChIKey of N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide?
The InChIKey is ICOGMVMOWGNMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-2-8-18-17(19-9-5-15-4-3-12-24-15)23-10-6-14(7-11-23)16-20-13-21-22-16/h2-4,12-14H,1,5-11H2,(H,18,19)(H,20,21,22).
What are the key properties of N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide?
N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide has a molecular weight of 328.42 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide is sourced from PubChem (CID 136727066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).