4-ethoxy-N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)pentyl]piperidine-1-carboximidamide;hydroiodide

C19H37IN4O2 — CID 111958904

IUPAC4-ethoxy-N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)pentyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCC(CC)N1CCCC1=O)N1CCC(OCC)CC1.I
InChIInChI=1S/C19H36N4O2.HI/c1-4-16(23-13-7-8-18(23)24)9-12-21-19(20-5-2)22-14-10-17(11-15-22)25-6-3;/h16-17H,4-15H2,1-3H3,(H,20,21);1H
InChIKeyMRGSCLOHFQMRQV-UHFFFAOYSA-N
MW480.44 g/mol
LogP2.86
Rot. Bonds8

About 4-ethoxy-N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)pentyl]piperidine-1-carboximidamide;hydroiodide

4-ethoxy-N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)pentyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111958904) has the molecular formula C19H37IN4O2 and a molecular weight of 480.44 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)pentyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)pentyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111958904
Molecular FormulaC19H37IN4O2
Molecular Weight480.44 g/mol
Exact Mass480.20
IUPAC Name4-ethoxy-N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)pentyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCC(CC)N1CCCC1=O)N1CCC(OCC)CC1.I
InChIInChI=1S/C19H36N4O2.HI/c1-4-16(23-13-7-8-18(23)24)9-12-21-19(20-5-2)22-14-10-17(11-15-22)25-6-3;/h16-17H,4-15H2,1-3H3,(H,20,21);1H
InChIKeyMRGSCLOHFQMRQV-UHFFFAOYSA-N
XLogP2.86
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.44
LogP ≤ 52.86
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)pentyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111157605
N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)pentyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110947384
3-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111958784
N-ethyl-4-(2-fluorophenyl)-N'-[3-(2-oxopyrrolidin-1-yl)pentyl]piperazine-1-carboximidamide
CID 111149178
4-ethoxy-N-ethyl-N'-(3-phenylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111958824
1-cyclohexyl-3-ethyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine
CID 110958793
4-ethoxy-N-ethyl-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111959920
1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019276
2-(3-cyclohexyloxypropyl)-1-ethyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine
CID 111398031
4-ethoxy-N-ethyl-N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111959798
4-ethoxy-N-ethyl-N'-[3-(2-methylpropoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111959036
methyl 5-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]pentanoate;hydroiodide
CID 111959262

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)pentyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-ethoxy-N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)pentyl]piperidine-1-carboximidamide;hydroiodide (CID 111958904) is 4-ethoxy-N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)pentyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-ethoxy-N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)pentyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-ethoxy-N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)pentyl]piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCC(CC)N1CCCC1=O)N1CCC(OCC)CC1.I.
What is the InChIKey of 4-ethoxy-N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)pentyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is MRGSCLOHFQMRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2.HI/c1-4-16(23-13-7-8-18(23)24)9-12-21-19(20-5-2)22-14-10-17(11-15-22)25-6-3;/h16-17H,4-15H2,1-3H3,(H,20,21);1H.
What are the key properties of 4-ethoxy-N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)pentyl]piperidine-1-carboximidamide;hydroiodide?
4-ethoxy-N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)pentyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 480.44 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)pentyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111958904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).