N'-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylcyclopropyl)piperidine-1-carboximidamide;hydroiodide

C21H31IN4O2 — CID 111346472

IUPACN'-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylcyclopropyl)piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NC1CC1c1ccccc1)N1CCC(C(=O)N2CCOCC2)CC1.I
InChIInChI=1S/C21H30N4O2.HI/c1-22-21(23-19-15-18(19)16-5-3-2-4-6-16)25-9-7-17(8-10-25)20(26)24-11-13-27-14-12-24;/h2-6,17-19H,7-15H2,1H3,(H,22,23);1H
InChIKeyMZZJUMKVZODEMP-UHFFFAOYSA-N
MW498.41 g/mol
LogP2.31
Rot. Bonds3

About N'-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylcyclopropyl)piperidine-1-carboximidamide;hydroiodide

N'-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylcyclopropyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111346472) has the molecular formula C21H31IN4O2 and a molecular weight of 498.41 g/mol. Its IUPAC name is N'-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylcyclopropyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylcyclopropyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111346472
Molecular FormulaC21H31IN4O2
Molecular Weight498.41 g/mol
Exact Mass498.15
IUPAC NameN'-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylcyclopropyl)piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NC1CC1c1ccccc1)N1CCC(C(=O)N2CCOCC2)CC1.I
InChIInChI=1S/C21H30N4O2.HI/c1-22-21(23-19-15-18(19)16-5-3-2-4-6-16)25-9-7-17(8-10-25)20(26)24-11-13-27-14-12-24;/h2-6,17-19H,7-15H2,1H3,(H,22,23);1H
InChIKeyMZZJUMKVZODEMP-UHFFFAOYSA-N
XLogP2.31
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.41
LogP ≤ 52.31
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

N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
CID 111346440
N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 111346441
N'-methyl-4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide;hydroiodide
CID 110962172
N'-methyl-3-phenyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide
CID 111723639
N-[2-(4-bromophenyl)cyclopropyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111725788
methyl 1-[N-[2-(2-fluorophenyl)cyclopropyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252196
N'-methyl-N-(2-phenylcyclopropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376583
N'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide
CID 110956792
N-[2-(2-methoxyphenoxy)propyl]-N'-methyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 111503339
2,2-dimethyl-N-[2-[[N-methyl-C-[4-(morpholine-4-carbonyl)piperidin-1-yl]carbonimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111346506
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-N'-methyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 111984605
4-methyl-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 60586425

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylcyclopropyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylcyclopropyl)piperidine-1-carboximidamide;hydroiodide (CID 111346472) is N'-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylcyclopropyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylcyclopropyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylcyclopropyl)piperidine-1-carboximidamide;hydroiodide is C/N=C(/NC1CC1c1ccccc1)N1CCC(C(=O)N2CCOCC2)CC1.I.
What is the InChIKey of N'-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylcyclopropyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is MZZJUMKVZODEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2.HI/c1-22-21(23-19-15-18(19)16-5-3-2-4-6-16)25-9-7-17(8-10-25)20(26)24-11-13-27-14-12-24;/h2-6,17-19H,7-15H2,1H3,(H,22,23);1H.
What are the key properties of N'-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylcyclopropyl)piperidine-1-carboximidamide;hydroiodide?
N'-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylcyclopropyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 498.41 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylcyclopropyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111346472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).