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

C19H31N3O3 — CID 110061686

IUPACN-[2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)-N'-propylpiperidine-1-carboximidamide
SMILESCCC/N=C(\NCCc1ccco1)N1CCCC(C2(C)OCCO2)C1
InChIInChI=1S/C19H31N3O3/c1-3-9-20-18(21-10-8-17-7-5-12-23-17)22-11-4-6-16(15-22)19(2)24-13-14-25-19/h5,7,12,16H,3-4,6,8-11,13-15H2,1-2H3,(H,20,21)
InChIKeyLNVYBWHKYQXBQY-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.65
Rot. Bonds6

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

N-[2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)-N'-propylpiperidine-1-carboximidamide (PubChem CID 110061686) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)-N'-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)-N'-propylpiperidine-1-carboximidamide
PubChem CID110061686
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC NameN-[2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)-N'-propylpiperidine-1-carboximidamide
SMILESCCC/N=C(\NCCc1ccco1)N1CCCC(C2(C)OCCO2)C1
InChIInChI=1S/C19H31N3O3/c1-3-9-20-18(21-10-8-17-7-5-12-23-17)22-11-4-6-16(15-22)19(2)24-13-14-25-19/h5,7,12,16H,3-4,6,8-11,13-15H2,1-2H3,(H,20,21)
InChIKeyLNVYBWHKYQXBQY-UHFFFAOYSA-N
XLogP2.65
TPSA59.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.65
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

2-[[[2-(furan-2-yl)ethylamino]-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 110061672
N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-propylpyrrolidine-1-carboximidamide;hydroiodide
CID 110056319
N-[2-(furan-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)-N'-propylpyrrolidine-1-carboximidamide
CID 110056132
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide
CID 110053900
2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 110057565
N'-butyl-N-[2-(furan-2-yl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110061505
N,N-dimethyl-2-[[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-(2-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 110050091
N-[2-(furan-2-yl)ethyl]-4-phenyl-N'-propylpiperazine-1-carboximidamide
CID 111493410
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]-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 110053298
N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 110053296
N'-butyl-N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide
CID 110057330

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)-N'-propylpiperidine-1-carboximidamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)-N'-propylpiperidine-1-carboximidamide (CID 110061686) is N-[2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)-N'-propylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)-N'-propylpiperidine-1-carboximidamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)-N'-propylpiperidine-1-carboximidamide is CCC/N=C(\NCCc1ccco1)N1CCCC(C2(C)OCCO2)C1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)-N'-propylpiperidine-1-carboximidamide?
The InChIKey is LNVYBWHKYQXBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-3-9-20-18(21-10-8-17-7-5-12-23-17)22-11-4-6-16(15-22)19(2)24-13-14-25-19/h5,7,12,16H,3-4,6,8-11,13-15H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)-N'-propylpiperidine-1-carboximidamide?
N-[2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)-N'-propylpiperidine-1-carboximidamide has a molecular weight of 349.48 g/mol, XLogP of 2.65, 6 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]-3-(2-methyl-1,3-dioxolan-2-yl)-N'-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 110061686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).