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

C19H28N6O — CID 110057464

IUPACN-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide
SMILESc1coc(CC/N=C(/NC2CCCC2)N2CCC(c3ncn[nH]3)CC2)c1
InChIInChI=1S/C19H28N6O/c1-2-5-16(4-1)23-19(20-10-7-17-6-3-13-26-17)25-11-8-15(9-12-25)18-21-14-22-24-18/h3,6,13-16H,1-2,4-5,7-12H2,(H,20,23)(H,21,22,24)
InChIKeyHYCOXNCFYQLKNQ-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.71
Rot. Bonds5

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

N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide (PubChem CID 110057464) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide
PubChem CID110057464
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide
SMILESc1coc(CC/N=C(/NC2CCCC2)N2CCC(c3ncn[nH]3)CC2)c1
InChIInChI=1S/C19H28N6O/c1-2-5-16(4-1)23-19(20-10-7-17-6-3-13-26-17)25-11-8-15(9-12-25)18-21-14-22-24-18/h3,6,13-16H,1-2,4-5,7-12H2,(H,20,23)(H,21,22,24)
InChIKeyHYCOXNCFYQLKNQ-UHFFFAOYSA-N
XLogP2.71
TPSA82.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.71
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'}

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Related Compounds

N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide
CID 136727066
N-cyclohexyl-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956337
4-acetyl-N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111493547
N-cyclopentyl-3-(2,5-dihydropyrrol-1-yl)-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide
CID 110056278
N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 110057373
ethyl 4-[N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 110053361
1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 119115657
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(4-hydroxycyclohexyl)guanidine
CID 111979545
1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine
CID 110054124
ethyl 1-[N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110053251
1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110054123
ethyl 4-[[N-[2-(furan-2-yl)ethyl]-C-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]carbonimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 110056141

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide?
The IUPAC name of N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide (CID 110057464) is N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide.
What is the SMILES notation for N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide?
The canonical SMILES for N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide is c1coc(CC/N=C(/NC2CCCC2)N2CCC(c3ncn[nH]3)CC2)c1.
What is the InChIKey of N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide?
The InChIKey is HYCOXNCFYQLKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-2-5-16(4-1)23-19(20-10-7-17-6-3-13-26-17)25-11-8-15(9-12-25)18-21-14-22-24-18/h3,6,13-16H,1-2,4-5,7-12H2,(H,20,23)(H,21,22,24).
What are the key properties of N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide?
N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide has a molecular weight of 356.47 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide is sourced from PubChem (CID 110057464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).