N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide

C22H32FIN4O2 — CID 111346440

IUPACN'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
SMILESCC/N=C(/NC1CC1c1ccccc1F)N1CCC(C(=O)N2CCOCC2)CC1.I
InChIInChI=1S/C22H31FN4O2.HI/c1-2-24-22(25-20-15-18(20)17-5-3-4-6-19(17)23)27-9-7-16(8-10-27)21(28)26-11-13-29-14-12-26;/h3-6,16,18,20H,2,7-15H2,1H3,(H,24,25);1H
InChIKeyNIEKGKJXGNWXAP-UHFFFAOYSA-N
MW530.43 g/mol
LogP2.84
Rot. Bonds4

About N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide

N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111346440) has the molecular formula C22H32FIN4O2 and a molecular weight of 530.43 g/mol. Its IUPAC name is N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111346440
Molecular FormulaC22H32FIN4O2
Molecular Weight530.43 g/mol
Exact Mass530.16
IUPAC NameN'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
SMILESCC/N=C(/NC1CC1c1ccccc1F)N1CCC(C(=O)N2CCOCC2)CC1.I
InChIInChI=1S/C22H31FN4O2.HI/c1-2-24-22(25-20-15-18(20)17-5-3-4-6-19(17)23)27-9-7-16(8-10-27)21(28)26-11-13-29-14-12-26;/h3-6,16,18,20H,2,7-15H2,1H3,(H,24,25);1H
InChIKeyNIEKGKJXGNWXAP-UHFFFAOYSA-N
XLogP2.84
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.43
LogP ≤ 52.84
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
CID 111346441
N'-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylcyclopropyl)piperidine-1-carboximidamide;hydroiodide
CID 111346472
methyl 1-[N-[2-(2-fluorophenyl)cyclopropyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252196
N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
CID 111748478
N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111770663
N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109449846
N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-ethyl-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide
CID 119160786
2-ethyl-1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019486
1-(3,4-dihydro-2H-chromen-4-yl)-2-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine
CID 111316104
N-ethyl-4-(morpholine-4-carbonyl)-N'-(naphthalen-1-ylmethyl)piperidine-1-carboximidamide
CID 111346485
N'-ethyl-4-(morpholine-4-carbonyl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylpiperidine-1-carboximidamide
CID 109402621
N,N-dimethyl-2-[[[4-(morpholine-4-carbonyl)piperidin-1-yl]-(2-phenylethylamino)methylidene]amino]acetamide
CID 110038043

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide (CID 111346440) is N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide is CC/N=C(/NC1CC1c1ccccc1F)N1CCC(C(=O)N2CCOCC2)CC1.I.
What is the InChIKey of N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is NIEKGKJXGNWXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4O2.HI/c1-2-24-22(25-20-15-18(20)17-5-3-4-6-19(17)23)27-9-7-16(8-10-27)21(28)26-11-13-29-14-12-26;/h3-6,16,18,20H,2,7-15H2,1H3,(H,24,25);1H.
What are the key properties of N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide?
N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 530.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111346440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).