N-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide

C21H40N4O2 — CID 109447941

IUPACN-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESCCN1CCCC(CN/C(=N\C)N2CCC(OCC3CCCCO3)CC2)C1
InChIInChI=1S/C21H40N4O2/c1-3-24-11-6-7-18(16-24)15-23-21(22-2)25-12-9-19(10-13-25)27-17-20-8-4-5-14-26-20/h18-20H,3-17H2,1-2H3,(H,22,23)
InChIKeyDFWGIVBKSMGTAB-UHFFFAOYSA-N
MW380.58 g/mol
LogP2.34
Rot. Bonds6

About N-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide

N-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide (PubChem CID 109447941) has the molecular formula C21H40N4O2 and a molecular weight of 380.58 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
PubChem CID109447941
Molecular FormulaC21H40N4O2
Molecular Weight380.58 g/mol
Exact Mass380.32
IUPAC NameN-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESCCN1CCCC(CN/C(=N\C)N2CCC(OCC3CCCCO3)CC2)C1
InChIInChI=1S/C21H40N4O2/c1-3-24-11-6-7-18(16-24)15-23-21(22-2)25-12-9-19(10-13-25)27-17-20-8-4-5-14-26-20/h18-20H,3-17H2,1-2H3,(H,22,23)
InChIKeyDFWGIVBKSMGTAB-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 52.34
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

N'-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448407
N-[(1-ethylpiperidin-2-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109450075
N'-methyl-4-(oxan-2-ylmethoxy)-N-prop-2-ynylpiperidine-1-carboximidamide
CID 109447385
N-[(1-butylpiperidin-2-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109450176
N-(2,2-difluoroethyl)-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448276
N'-methyl-N-[(4-methylphenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109450151
N'-methyl-4-(oxan-2-ylmethoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-1-carboximidamide
CID 109446895
N-[2-(cyclobutylmethylsulfamoyl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448762
N-[3-(cyclopropylmethoxy)propyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447330
N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109449334
N'-methyl-4-(oxan-2-ylmethoxy)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide
CID 109447191
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-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The IUPAC name of N-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide (CID 109447941) is N-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide.
What is the SMILES notation for N-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The canonical SMILES for N-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide is CCN1CCCC(CN/C(=N\C)N2CCC(OCC3CCCCO3)CC2)C1.
What is the InChIKey of N-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The InChIKey is DFWGIVBKSMGTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4O2/c1-3-24-11-6-7-18(16-24)15-23-21(22-2)25-12-9-19(10-13-25)27-17-20-8-4-5-14-26-20/h18-20H,3-17H2,1-2H3,(H,22,23).
What are the key properties of N-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
N-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide has a molecular weight of 380.58 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide is sourced from PubChem (CID 109447941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).