N-[2-(furan-2-yl)ethyl]-3-methyl-N'-(oxolan-3-ylmethyl)-3-propylpiperidine-1-carboximidamide

C21H35N3O2 — CID 110057590

IUPACN-[2-(furan-2-yl)ethyl]-3-methyl-N'-(oxolan-3-ylmethyl)-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/CC2CCOC2)NCCc2ccco2)C1
InChIInChI=1S/C21H35N3O2/c1-3-9-21(2)10-5-12-24(17-21)20(23-15-18-8-14-25-16-18)22-11-7-19-6-4-13-26-19/h4,6,13,18H,3,5,7-12,14-17H2,1-2H3,(H,22,23)
InChIKeyHNCBTPWJGOYZSF-UHFFFAOYSA-N
MW361.53 g/mol
LogP3.71
Rot. Bonds7

About N-[2-(furan-2-yl)ethyl]-3-methyl-N'-(oxolan-3-ylmethyl)-3-propylpiperidine-1-carboximidamide

N-[2-(furan-2-yl)ethyl]-3-methyl-N'-(oxolan-3-ylmethyl)-3-propylpiperidine-1-carboximidamide (PubChem CID 110057590) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-3-methyl-N'-(oxolan-3-ylmethyl)-3-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-3-methyl-N'-(oxolan-3-ylmethyl)-3-propylpiperidine-1-carboximidamide
PubChem CID110057590
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC NameN-[2-(furan-2-yl)ethyl]-3-methyl-N'-(oxolan-3-ylmethyl)-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/CC2CCOC2)NCCc2ccco2)C1
InChIInChI=1S/C21H35N3O2/c1-3-9-21(2)10-5-12-24(17-21)20(23-15-18-8-14-25-16-18)22-11-7-19-6-4-13-26-19/h4,6,13,18H,3,5,7-12,14-17H2,1-2H3,(H,22,23)
InChIKeyHNCBTPWJGOYZSF-UHFFFAOYSA-N
XLogP3.71
TPSA50.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 53.71
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]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490544
N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(oxolan-3-ylmethyl)azetidine-1-carboximidamide
CID 110057168
N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(oxolan-3-ylmethyl)morpholine-4-carboximidamide
CID 110059054
N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide
CID 110056190
3-(ethoxymethyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110056641
2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 110057557
4-(3,4-dimethylphenyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)piperazine-1-carboximidamide
CID 110061104
4-(2-bicyclo[2.2.1]heptanyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)piperazine-1-carboximidamide
CID 110056710
N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)-6-propoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110060565
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110056547
N-[2-(furan-2-yl)ethyl]-3-imidazol-1-yl-4-methyl-N'-(oxolan-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 110059605
3-[2-(furan-2-yl)ethyl]-1-methyl-1-(oxolan-3-ylmethyl)-2-propylguanidine;hydroiodide
CID 109383690

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-3-methyl-N'-(oxolan-3-ylmethyl)-3-propylpiperidine-1-carboximidamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-3-methyl-N'-(oxolan-3-ylmethyl)-3-propylpiperidine-1-carboximidamide (CID 110057590) is N-[2-(furan-2-yl)ethyl]-3-methyl-N'-(oxolan-3-ylmethyl)-3-propylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-3-methyl-N'-(oxolan-3-ylmethyl)-3-propylpiperidine-1-carboximidamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-3-methyl-N'-(oxolan-3-ylmethyl)-3-propylpiperidine-1-carboximidamide is CCCC1(C)CCCN(/C(=N/CC2CCOC2)NCCc2ccco2)C1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-3-methyl-N'-(oxolan-3-ylmethyl)-3-propylpiperidine-1-carboximidamide?
The InChIKey is HNCBTPWJGOYZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-3-9-21(2)10-5-12-24(17-21)20(23-15-18-8-14-25-16-18)22-11-7-19-6-4-13-26-19/h4,6,13,18H,3,5,7-12,14-17H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(furan-2-yl)ethyl]-3-methyl-N'-(oxolan-3-ylmethyl)-3-propylpiperidine-1-carboximidamide?
N-[2-(furan-2-yl)ethyl]-3-methyl-N'-(oxolan-3-ylmethyl)-3-propylpiperidine-1-carboximidamide has a molecular weight of 361.53 g/mol, XLogP of 3.71, 7 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]-3-methyl-N'-(oxolan-3-ylmethyl)-3-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 110057590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).