1-methyl-N-(2-methylpropanimidoyl)piperidine-4-carboxamide

C11H21N3O — CID 145380383

IUPAC1-methyl-N-(2-methylpropanimidoyl)piperidine-4-carboxamide
SMILES[H]/N=C(/NC(=O)C1CCN(C)CC1)C(C)C
InChIInChI=1S/C11H21N3O/c1-8(2)10(12)13-11(15)9-4-6-14(3)7-5-9/h8-9H,4-7H2,1-3H3,(H2,12,13,15)
InChIKeyKTSHIHUSAOYHJN-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.08
Rot. Bonds2

About 1-methyl-N-(2-methylpropanimidoyl)piperidine-4-carboxamide

1-methyl-N-(2-methylpropanimidoyl)piperidine-4-carboxamide (PubChem CID 145380383) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-methyl-N-(2-methylpropanimidoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methylpropanimidoyl)piperidine-4-carboxamide
PubChem CID145380383
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-methyl-N-(2-methylpropanimidoyl)piperidine-4-carboxamide
SMILES[H]/N=C(/NC(=O)C1CCN(C)CC1)C(C)C
InChIInChI=1S/C11H21N3O/c1-8(2)10(12)13-11(15)9-4-6-14(3)7-5-9/h8-9H,4-7H2,1-3H3,(H2,12,13,15)
InChIKeyKTSHIHUSAOYHJN-UHFFFAOYSA-N
XLogP1.08
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.08
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylpropanimidoyl)piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-(2-methylpropanimidoyl)piperidine-4-carboxamide (CID 145380383) is 1-methyl-N-(2-methylpropanimidoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methylpropanimidoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methylpropanimidoyl)piperidine-4-carboxamide is [H]/N=C(/NC(=O)C1CCN(C)CC1)C(C)C.
What is the InChIKey of 1-methyl-N-(2-methylpropanimidoyl)piperidine-4-carboxamide?
The InChIKey is KTSHIHUSAOYHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(2)10(12)13-11(15)9-4-6-14(3)7-5-9/h8-9H,4-7H2,1-3H3,(H2,12,13,15).
What are the key properties of 1-methyl-N-(2-methylpropanimidoyl)piperidine-4-carboxamide?
1-methyl-N-(2-methylpropanimidoyl)piperidine-4-carboxamide has a molecular weight of 211.31 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylpropanimidoyl)piperidine-4-carboxamide is sourced from PubChem (CID 145380383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).