2,2-dimethyl-N-[2-[[N-methyl-C-[4-(morpholine-4-carbonyl)piperidin-1-yl]carbonimidoyl]amino]ethyl]propanamide;hydroiodide

C19H36IN5O3 — CID 111346506

IUPAC2,2-dimethyl-N-[2-[[N-methyl-C-[4-(morpholine-4-carbonyl)piperidin-1-yl]carbonimidoyl]amino]ethyl]propanamide;hydroiodide
SMILESC/N=C(\NCCNC(=O)C(C)(C)C)N1CCC(C(=O)N2CCOCC2)CC1.I
InChIInChI=1S/C19H35N5O3.HI/c1-19(2,3)17(26)21-7-8-22-18(20-4)24-9-5-15(6-10-24)16(25)23-11-13-27-14-12-23;/h15H,5-14H2,1-4H3,(H,20,22)(H,21,26);1H
InChIKeyGAOYKCLUWWKDQB-UHFFFAOYSA-N
MW509.43 g/mol
LogP0.91
Rot. Bonds4

About 2,2-dimethyl-N-[2-[[N-methyl-C-[4-(morpholine-4-carbonyl)piperidin-1-yl]carbonimidoyl]amino]ethyl]propanamide;hydroiodide

2,2-dimethyl-N-[2-[[N-methyl-C-[4-(morpholine-4-carbonyl)piperidin-1-yl]carbonimidoyl]amino]ethyl]propanamide;hydroiodide (PubChem CID 111346506) has the molecular formula C19H36IN5O3 and a molecular weight of 509.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[[N-methyl-C-[4-(morpholine-4-carbonyl)piperidin-1-yl]carbonimidoyl]amino]ethyl]propanamide;hydroiodide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[[N-methyl-C-[4-(morpholine-4-carbonyl)piperidin-1-yl]carbonimidoyl]amino]ethyl]propanamide;hydroiodide
PubChem CID111346506
Molecular FormulaC19H36IN5O3
Molecular Weight509.43 g/mol
Exact Mass509.19
IUPAC Name2,2-dimethyl-N-[2-[[N-methyl-C-[4-(morpholine-4-carbonyl)piperidin-1-yl]carbonimidoyl]amino]ethyl]propanamide;hydroiodide
SMILESC/N=C(\NCCNC(=O)C(C)(C)C)N1CCC(C(=O)N2CCOCC2)CC1.I
InChIInChI=1S/C19H35N5O3.HI/c1-19(2,3)17(26)21-7-8-22-18(20-4)24-9-5-15(6-10-24)16(25)23-11-13-27-14-12-23;/h15H,5-14H2,1-4H3,(H,20,22)(H,21,26);1H
InChIKeyGAOYKCLUWWKDQB-UHFFFAOYSA-N
XLogP0.91
TPSA86.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.43
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

2,2-dimethyl-N-[2-[[N-methyl-C-(3-morpholin-4-ylpyrrolidin-1-yl)carbonimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111726284
2,2-dimethyl-N-[2-[[N-methyl-C-[4-(oxolane-2-carbonyl)piperazin-1-yl]carbonimidoyl]amino]ethyl]propanamide
CID 111302233
ethyl 1-[N-[2-(2,2-dimethylpropanoylamino)ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111157965
N-[2-[[C-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111998188
N,N-dimethyl-2-[[[4-(morpholine-4-carbonyl)piperidin-1-yl]-(propylamino)methylidene]amino]acetamide
CID 110038045
N-[2-[[C-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-methylcarbonimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 109441693
(1-tert-butylpiperidin-4-yl)-morpholin-4-ylmethanone
CID 21061611
N'-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylcyclopropyl)piperidine-1-carboximidamide;hydroiodide
CID 111346472
N-ethyl-N'-(3-hydroxy-2-methylpropyl)-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
CID 111346416
tert-butyl N-[2-[[N-methyl-C-[4-(oxolane-2-carbonyl)piperazin-1-yl]carbonimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111302942
N-(3,3-dimethylbutyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111300974
methyl 1-[N'-methyl-N-(4-morpholin-4-ylbutyl)carbamimidoyl]piperidine-4-carboxylate
CID 111253935

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[[N-methyl-C-[4-(morpholine-4-carbonyl)piperidin-1-yl]carbonimidoyl]amino]ethyl]propanamide;hydroiodide?
The IUPAC name of 2,2-dimethyl-N-[2-[[N-methyl-C-[4-(morpholine-4-carbonyl)piperidin-1-yl]carbonimidoyl]amino]ethyl]propanamide;hydroiodide (CID 111346506) is 2,2-dimethyl-N-[2-[[N-methyl-C-[4-(morpholine-4-carbonyl)piperidin-1-yl]carbonimidoyl]amino]ethyl]propanamide;hydroiodide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[[N-methyl-C-[4-(morpholine-4-carbonyl)piperidin-1-yl]carbonimidoyl]amino]ethyl]propanamide;hydroiodide?
The canonical SMILES for 2,2-dimethyl-N-[2-[[N-methyl-C-[4-(morpholine-4-carbonyl)piperidin-1-yl]carbonimidoyl]amino]ethyl]propanamide;hydroiodide is C/N=C(\NCCNC(=O)C(C)(C)C)N1CCC(C(=O)N2CCOCC2)CC1.I.
What is the InChIKey of 2,2-dimethyl-N-[2-[[N-methyl-C-[4-(morpholine-4-carbonyl)piperidin-1-yl]carbonimidoyl]amino]ethyl]propanamide;hydroiodide?
The InChIKey is GAOYKCLUWWKDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O3.HI/c1-19(2,3)17(26)21-7-8-22-18(20-4)24-9-5-15(6-10-24)16(25)23-11-13-27-14-12-23;/h15H,5-14H2,1-4H3,(H,20,22)(H,21,26);1H.
What are the key properties of 2,2-dimethyl-N-[2-[[N-methyl-C-[4-(morpholine-4-carbonyl)piperidin-1-yl]carbonimidoyl]amino]ethyl]propanamide;hydroiodide?
2,2-dimethyl-N-[2-[[N-methyl-C-[4-(morpholine-4-carbonyl)piperidin-1-yl]carbonimidoyl]amino]ethyl]propanamide;hydroiodide has a molecular weight of 509.43 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[[N-methyl-C-[4-(morpholine-4-carbonyl)piperidin-1-yl]carbonimidoyl]amino]ethyl]propanamide;hydroiodide is sourced from PubChem (CID 111346506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).