3-methyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide

C20H31IN4O2 — CID 111099903

IUPAC3-methyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CC(C(=O)N2CCOCC2)c2ccccc2)C1.I
InChIInChI=1S/C20H30N4O2.HI/c1-16-6-5-9-24(15-16)20(21)22-14-18(17-7-3-2-4-8-17)19(25)23-10-12-26-13-11-23;/h2-4,7-8,16,18H,5-6,9-15H2,1H3,(H2,21,22);1H
InChIKeyJGPBFPKBPJCJEP-UHFFFAOYSA-N
MW486.40 g/mol
LogP2.29
Rot. Bonds4

About 3-methyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide

3-methyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111099903) has the molecular formula C20H31IN4O2 and a molecular weight of 486.40 g/mol. Its IUPAC name is 3-methyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name3-methyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111099903
Molecular FormulaC20H31IN4O2
Molecular Weight486.40 g/mol
Exact Mass486.15
IUPAC Name3-methyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CC(C(=O)N2CCOCC2)c2ccccc2)C1.I
InChIInChI=1S/C20H30N4O2.HI/c1-16-6-5-9-24(15-16)20(21)22-14-18(17-7-3-2-4-8-17)19(25)23-10-12-26-13-11-23;/h2-4,7-8,16,18H,5-6,9-15H2,1H3,(H2,21,22);1H
InChIKeyJGPBFPKBPJCJEP-UHFFFAOYSA-N
XLogP2.29
TPSA71.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.40
LogP ≤ 52.29
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

3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111060872
3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide
CID 111032436
1,1-diethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111099883
3-methyl-N'-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111074772
1,1,3,3-tetramethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine
CID 111099902
3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide
CID 111041135
1-(3,5-dimethylphenyl)-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111099877
1-[(2S)-1-methoxypropan-2-yl]-2-[(2S)-3-morpholin-4-yl-3-oxo-2-phenylpropyl]guanidine
CID 95761569
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111063224
3-amino-1-(1,4-oxazepan-4-yl)-2-phenylpropan-1-one
CID 55139401
1-(3,4-dimethylphenyl)-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111099881

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 3-methyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide (CID 111099903) is 3-methyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 3-methyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 3-methyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide is CC1CCCN(/C(N)=N/CC(C(=O)N2CCOCC2)c2ccccc2)C1.I.
What is the InChIKey of 3-methyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is JGPBFPKBPJCJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2.HI/c1-16-6-5-9-24(15-16)20(21)22-14-18(17-7-3-2-4-8-17)19(25)23-10-12-26-13-11-23;/h2-4,7-8,16,18H,5-6,9-15H2,1H3,(H2,21,22);1H.
What are the key properties of 3-methyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide?
3-methyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 486.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111099903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).