N-benzyl-N-ethyl-2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]acetamide

C24H38N4O3 — CID 109448907

IUPACN-benzyl-N-ethyl-2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN/C(=N\C)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C24H38N4O3/c1-3-27(18-20-9-5-4-6-10-20)23(29)17-26-24(25-2)28-14-12-21(13-15-28)31-19-22-11-7-8-16-30-22/h4-6,9-10,21-22H,3,7-8,11-19H2,1-2H3,(H,25,26)
InChIKeyGKAKWKMMPNCAQP-UHFFFAOYSA-N
MW430.59 g/mol
LogP2.66
Rot. Bonds8

About N-benzyl-N-ethyl-2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]acetamide

N-benzyl-N-ethyl-2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]acetamide (PubChem CID 109448907) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]acetamide
PubChem CID109448907
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC NameN-benzyl-N-ethyl-2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN/C(=N\C)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C24H38N4O3/c1-3-27(18-20-9-5-4-6-10-20)23(29)17-26-24(25-2)28-14-12-21(13-15-28)31-19-22-11-7-8-16-30-22/h4-6,9-10,21-22H,3,7-8,11-19H2,1-2H3,(H,25,26)
InChIKeyGKAKWKMMPNCAQP-UHFFFAOYSA-N
XLogP2.66
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-[[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 109447434
3-[[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]methyl]-N-propylbenzamide
CID 109449779
ethyl 1-[N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156784
N'-methyl-4-(oxan-2-ylmethoxy)-N-(4-phenylmethoxybutyl)piperidine-1-carboximidamide;hydroiodide
CID 109447896
N'-methyl-N-[(4-methylphenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109450151
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447188
N-[(2-chlorophenyl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448859
N-[(1-benzylpyrazol-4-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447368
N-[[3-(difluoromethoxy)phenyl]methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448866
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447415
N'-methyl-4-(oxan-2-ylmethoxy)-N-(2-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 109447736
2-[3-[[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]methyl]phenoxy]acetamide;hydroiodide
CID 109447206

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]acetamide (CID 109448907) is N-benzyl-N-ethyl-2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]acetamide is CCN(Cc1ccccc1)C(=O)CN/C(=N\C)N1CCC(OCC2CCCCO2)CC1.
What is the InChIKey of N-benzyl-N-ethyl-2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]acetamide?
The InChIKey is GKAKWKMMPNCAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O3/c1-3-27(18-20-9-5-4-6-10-20)23(29)17-26-24(25-2)28-14-12-21(13-15-28)31-19-22-11-7-8-16-30-22/h4-6,9-10,21-22H,3,7-8,11-19H2,1-2H3,(H,25,26).
What are the key properties of N-benzyl-N-ethyl-2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]acetamide?
N-benzyl-N-ethyl-2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]acetamide has a molecular weight of 430.59 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]acetamide is sourced from PubChem (CID 109448907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).