N-ethyl-N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-phenoxypiperidine-1-carboximidamide

C24H34N4O2 — CID 109425746

IUPACN-ethyl-N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-phenoxypiperidine-1-carboximidamide
SMILESCCN/C(=N\CC(c1ccco1)N1CCCC1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C24H34N4O2/c1-2-25-24(26-19-22(23-11-8-18-29-23)27-14-6-7-15-27)28-16-12-21(13-17-28)30-20-9-4-3-5-10-20/h3-5,8-11,18,21-22H,2,6-7,12-17,19H2,1H3,(H,25,26)
InChIKeyNTBQBQAEKGBLRL-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.93
Rot. Bonds7

About N-ethyl-N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-phenoxypiperidine-1-carboximidamide

N-ethyl-N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-phenoxypiperidine-1-carboximidamide (PubChem CID 109425746) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-ethyl-N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-phenoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-phenoxypiperidine-1-carboximidamide
PubChem CID109425746
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC NameN-ethyl-N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-phenoxypiperidine-1-carboximidamide
SMILESCCN/C(=N\CC(c1ccco1)N1CCCC1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C24H34N4O2/c1-2-25-24(26-19-22(23-11-8-18-29-23)27-14-6-7-15-27)28-16-12-21(13-17-28)30-20-9-4-3-5-10-20/h3-5,8-11,18,21-22H,2,6-7,12-17,19H2,1H3,(H,25,26)
InChIKeyNTBQBQAEKGBLRL-UHFFFAOYSA-N
XLogP3.93
TPSA53.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.93
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

ethyl 1-[N-ethyl-N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111157442
N-ethyl-N'-(furan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide
CID 109427617
N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425771
N-ethyl-N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111743206
N-ethyl-N'-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide
CID 109426164
N-ethyl-N'-[2-(2-methoxyphenyl)propyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425735
N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide
CID 109426874
N-ethyl-4-phenoxy-N'-(2-thiophen-2-ylethyl)piperidine-1-carboximidamide
CID 109426946
N-ethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427576
N-ethyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109426968
1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(2-hydroxycyclopentyl)methyl]guanidine
CID 111834269
3-[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109427886

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-phenoxypiperidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-phenoxypiperidine-1-carboximidamide (CID 109425746) is N-ethyl-N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-phenoxypiperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-phenoxypiperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-phenoxypiperidine-1-carboximidamide is CCN/C(=N\CC(c1ccco1)N1CCCC1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N-ethyl-N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-phenoxypiperidine-1-carboximidamide?
The InChIKey is NTBQBQAEKGBLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-2-25-24(26-19-22(23-11-8-18-29-23)27-14-6-7-15-27)28-16-12-21(13-17-28)30-20-9-4-3-5-10-20/h3-5,8-11,18,21-22H,2,6-7,12-17,19H2,1H3,(H,25,26).
What are the key properties of N-ethyl-N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-phenoxypiperidine-1-carboximidamide?
N-ethyl-N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-phenoxypiperidine-1-carboximidamide has a molecular weight of 410.56 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-phenoxypiperidine-1-carboximidamide is sourced from PubChem (CID 109425746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).