4-isocyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

C15H19N3O — CID 123781612

IUPAC4-isocyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILES[C-]#[N+]c1ccc(C(=O)N(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C15H19N3O/c1-16-13-6-4-12(5-7-13)15(19)18(3)14-8-10-17(2)11-9-14/h4-7,14H,8-11H2,2-3H3
InChIKeyGFGXLVAWWPBJBR-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.40
Rot. Bonds2

About 4-isocyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

4-isocyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 123781612) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-isocyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-isocyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID123781612
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-isocyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILES[C-]#[N+]c1ccc(C(=O)N(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C15H19N3O/c1-16-13-6-4-12(5-7-13)15(19)18(3)14-8-10-17(2)11-9-14/h4-7,14H,8-11H2,2-3H3
InChIKeyGFGXLVAWWPBJBR-UHFFFAOYSA-N
XLogP2.40
TPSA27.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

4-isocyano-N-methyl-N-piperidin-4-ylbenzamide
CID 140732667
4-isocyano-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 123896887
4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43333302
3,4-dihydroxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 103955316
N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 39902838
N-methyl-N-(1-methylpiperidin-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 123492991
3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 113349444
4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 121450358
N-methyl-N-(1-methylpiperidin-4-yl)-4-(2-methyl-4-pyridinyl)benzamide
CID 119058550
N-methyl-N-(1-methylpiperidin-4-yl)-2H-benzotriazole-5-carboxamide
CID 110468852
N-cyclopropyl-4-hydroxy-N-methylbenzamide
CID 43265196
2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110463573

Frequently Asked Questions

What is the IUPAC name of 4-isocyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-isocyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 123781612) is 4-isocyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-isocyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-isocyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is [C-]#[N+]c1ccc(C(=O)N(C)C2CCN(C)CC2)cc1.
What is the InChIKey of 4-isocyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is GFGXLVAWWPBJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-16-13-6-4-12(5-7-13)15(19)18(3)14-8-10-17(2)11-9-14/h4-7,14H,8-11H2,2-3H3.
What are the key properties of 4-isocyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
4-isocyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 257.34 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isocyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 123781612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).