4-(dimethylamino)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide

C17H26N4O2 — CID 126804071

IUPAC4-(dimethylamino)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
SMILESCC1CCN(C(=O)CON=C(N)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C17H26N4O2/c1-13-8-10-21(11-9-13)16(22)12-23-19-17(18)14-4-6-15(7-5-14)20(2)3/h4-7,13H,8-12H2,1-3H3,(H2,18,19)
InChIKeyMKOOGMKHBFAZSV-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.65
Rot. Bonds5

About 4-(dimethylamino)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide

4-(dimethylamino)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide (PubChem CID 126804071) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-(dimethylamino)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-(dimethylamino)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
PubChem CID126804071
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-(dimethylamino)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
SMILESCC1CCN(C(=O)CON=C(N)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C17H26N4O2/c1-13-8-10-21(11-9-13)16(22)12-23-19-17(18)14-4-6-15(7-5-14)20(2)3/h4-7,13H,8-12H2,1-3H3,(H2,18,19)
InChIKeyMKOOGMKHBFAZSV-UHFFFAOYSA-N
XLogP1.65
TPSA71.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.65
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide?
The IUPAC name of 4-(dimethylamino)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide (CID 126804071) is 4-(dimethylamino)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide.
What is the SMILES notation for 4-(dimethylamino)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide?
The canonical SMILES for 4-(dimethylamino)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide is CC1CCN(C(=O)CON=C(N)c2ccc(N(C)C)cc2)CC1.
What is the InChIKey of 4-(dimethylamino)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide?
The InChIKey is MKOOGMKHBFAZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13-8-10-21(11-9-13)16(22)12-23-19-17(18)14-4-6-15(7-5-14)20(2)3/h4-7,13H,8-12H2,1-3H3,(H2,18,19).
What are the key properties of 4-(dimethylamino)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide?
4-(dimethylamino)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide has a molecular weight of 318.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide is sourced from PubChem (CID 126804071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).