N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide

C24H39N3O3 — CID 110057376

IUPACN'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESc1coc(CCN/C(=N\CC2CCCCC2)N2CCC(OCC3CCCO3)CC2)c1
InChIInChI=1S/C24H39N3O3/c1-2-6-20(7-3-1)18-26-24(25-13-10-21-8-4-16-28-21)27-14-11-22(12-15-27)30-19-23-9-5-17-29-23/h4,8,16,20,22-23H,1-3,5-7,9-15,17-19H2,(H,25,26)
InChIKeyHDTCFSGAIWDDJH-UHFFFAOYSA-N
MW417.59 g/mol
LogP4.01
Rot. Bonds8

About N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide

N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide (PubChem CID 110057376) has the molecular formula C24H39N3O3 and a molecular weight of 417.59 g/mol. Its IUPAC name is N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide
PubChem CID110057376
Molecular FormulaC24H39N3O3
Molecular Weight417.59 g/mol
Exact Mass417.30
IUPAC NameN'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESc1coc(CCN/C(=N\CC2CCCCC2)N2CCC(OCC3CCCO3)CC2)c1
InChIInChI=1S/C24H39N3O3/c1-2-6-20(7-3-1)18-26-24(25-13-10-21-8-4-16-28-21)27-14-11-22(12-15-27)30-19-23-9-5-17-29-23/h4,8,16,20,22-23H,1-3,5-7,9-15,17-19H2,(H,25,26)
InChIKeyHDTCFSGAIWDDJH-UHFFFAOYSA-N
XLogP4.01
TPSA59.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.59
LogP ≤ 54.01
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'}

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Related Compounds

N-[2-(furan-2-yl)ethyl]-4-(oxan-2-ylmethoxy)-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide
CID 110057122
4-(cyclopentylmethoxy)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 110057383
N-[2-(furan-2-yl)ethyl]-N'-(2-methylpropyl)-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 110057347
N'-butyl-N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide
CID 110057330
N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
CID 110057366
N-[2-(furan-2-yl)ethyl]-N'-(2-methylsulfanylethyl)-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 110057337
N-[2-(furan-2-yl)ethyl]-N'-(2-morpholin-4-ylethyl)-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 110057355
N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449925
N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 110057373
N-ethyl-N'-(furan-2-ylmethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109449548
4-(cyclopentylmethoxy)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide
CID 110057410
N-(furan-2-ylmethyl)-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447400

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide?
The IUPAC name of N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide (CID 110057376) is N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide.
What is the SMILES notation for N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide?
The canonical SMILES for N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide is c1coc(CCN/C(=N\CC2CCCCC2)N2CCC(OCC3CCCO3)CC2)c1.
What is the InChIKey of N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide?
The InChIKey is HDTCFSGAIWDDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O3/c1-2-6-20(7-3-1)18-26-24(25-13-10-21-8-4-16-28-21)27-14-11-22(12-15-27)30-19-23-9-5-17-29-23/h4,8,16,20,22-23H,1-3,5-7,9-15,17-19H2,(H,25,26).
What are the key properties of N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide?
N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide has a molecular weight of 417.59 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide is sourced from PubChem (CID 110057376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).