N,2,2-trimethyl-3-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]propanamide;hydroiodide

C19H37IN4O3 — CID 109447712

IUPACN,2,2-trimethyl-3-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]propanamide;hydroiodide
SMILESC/N=C(\NCC(C)(C)C(=O)NC)N1CCC(OCC2CCCCO2)CC1.I
InChIInChI=1S/C19H36N4O3.HI/c1-19(2,17(24)20-3)14-22-18(21-4)23-10-8-15(9-11-23)26-13-16-7-5-6-12-25-16;/h15-16H,5-14H2,1-4H3,(H,20,24)(H,21,22);1H
InChIKeySWJLCGLDHAXHPJ-UHFFFAOYSA-N
MW496.43 g/mol
LogP2.00
Rot. Bonds6

About N,2,2-trimethyl-3-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]propanamide;hydroiodide

N,2,2-trimethyl-3-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]propanamide;hydroiodide (PubChem CID 109447712) has the molecular formula C19H37IN4O3 and a molecular weight of 496.43 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]propanamide;hydroiodide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]propanamide;hydroiodide
PubChem CID109447712
Molecular FormulaC19H37IN4O3
Molecular Weight496.43 g/mol
Exact Mass496.19
IUPAC NameN,2,2-trimethyl-3-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]propanamide;hydroiodide
SMILESC/N=C(\NCC(C)(C)C(=O)NC)N1CCC(OCC2CCCCO2)CC1.I
InChIInChI=1S/C19H36N4O3.HI/c1-19(2,17(24)20-3)14-22-18(21-4)23-10-8-15(9-11-23)26-13-16-7-5-6-12-25-16;/h15-16H,5-14H2,1-4H3,(H,20,24)(H,21,22);1H
InChIKeySWJLCGLDHAXHPJ-UHFFFAOYSA-N
XLogP2.00
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.43
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-2,2-dimethyl-3-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]propanamide;hydroiodide
CID 109449146
N'-methyl-N-(2-methyl-2-methylsulfonylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447193
N-tert-butyl-2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]acetamide;hydroiodide
CID 109446844
tert-butyl N-[2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]ethyl]carbamate;hydroiodide
CID 109449672
N-(2,2-difluoroethyl)-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448276
N'-methyl-4-(oxan-2-ylmethoxy)-N-prop-2-ynylpiperidine-1-carboximidamide
CID 109447385
N-[3-(cyclopropylmethoxy)propyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447330
N-(5,5-dimethylhexyl)-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109446797
N-[2-(4-acetylpiperazin-1-yl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448903
N'-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448407
N-[(1-cyclopropylcyclopropyl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447170
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447389

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]propanamide;hydroiodide?
The IUPAC name of N,2,2-trimethyl-3-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]propanamide;hydroiodide (CID 109447712) is N,2,2-trimethyl-3-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]propanamide;hydroiodide.
What is the SMILES notation for N,2,2-trimethyl-3-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]propanamide;hydroiodide?
The canonical SMILES for N,2,2-trimethyl-3-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]propanamide;hydroiodide is C/N=C(\NCC(C)(C)C(=O)NC)N1CCC(OCC2CCCCO2)CC1.I.
What is the InChIKey of N,2,2-trimethyl-3-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]propanamide;hydroiodide?
The InChIKey is SWJLCGLDHAXHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O3.HI/c1-19(2,17(24)20-3)14-22-18(21-4)23-10-8-15(9-11-23)26-13-16-7-5-6-12-25-16;/h15-16H,5-14H2,1-4H3,(H,20,24)(H,21,22);1H.
What are the key properties of N,2,2-trimethyl-3-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]propanamide;hydroiodide?
N,2,2-trimethyl-3-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]propanamide;hydroiodide has a molecular weight of 496.43 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]propanamide;hydroiodide is sourced from PubChem (CID 109447712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).