N-ethyl-2,2-dimethyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide

C20H32N4O2 — CID 109427329

IUPACN-ethyl-2,2-dimethyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide
SMILESCCNC(=O)C(C)(C)CN/C(=N\C)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C20H32N4O2/c1-5-22-18(25)20(2,3)15-23-19(21-4)24-13-11-17(12-14-24)26-16-9-7-6-8-10-16/h6-10,17H,5,11-15H2,1-4H3,(H,21,23)(H,22,25)
InChIKeyODXVLAPQFCGYFY-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.27
Rot. Bonds6

About N-ethyl-2,2-dimethyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide

N-ethyl-2,2-dimethyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide (PubChem CID 109427329) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide
PubChem CID109427329
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN-ethyl-2,2-dimethyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide
SMILESCCNC(=O)C(C)(C)CN/C(=N\C)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C20H32N4O2/c1-5-22-18(25)20(2,3)15-23-19(21-4)24-13-11-17(12-14-24)26-16-9-7-6-8-10-16/h6-10,17H,5,11-15H2,1-4H3,(H,21,23)(H,22,25)
InChIKeyODXVLAPQFCGYFY-UHFFFAOYSA-N
XLogP2.27
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-2-methylpropyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425451
N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427761
N'-methyl-N-(2-methyl-2-methylsulfanylpropyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427356
N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427760
N-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426691
ethyl 4-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]butanoate
CID 109426410
N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide
CID 109426874
ethyl 7-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]heptanoate;hydroiodide
CID 109427718
N'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide
CID 109425492
N-[3-(dimethylamino)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427771
N'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425491
N'-methyl-N-(3-methylbutyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425993

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide?
The IUPAC name of N-ethyl-2,2-dimethyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide (CID 109427329) is N-ethyl-2,2-dimethyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide is CCNC(=O)C(C)(C)CN/C(=N\C)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide?
The InChIKey is ODXVLAPQFCGYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-5-22-18(25)20(2,3)15-23-19(21-4)24-13-11-17(12-14-24)26-16-9-7-6-8-10-16/h6-10,17H,5,11-15H2,1-4H3,(H,21,23)(H,22,25).
What are the key properties of N-ethyl-2,2-dimethyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide?
N-ethyl-2,2-dimethyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide has a molecular weight of 360.50 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide is sourced from PubChem (CID 109427329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).