3-isocyano-N-propan-2-ylpiperidine-1-carboxamide

C10H17N3O — CID 140701230

IUPAC3-isocyano-N-propan-2-ylpiperidine-1-carboxamide
SMILES[C-]#[N+]C1CCCN(C(=O)NC(C)C)C1
InChIInChI=1S/C10H17N3O/c1-8(2)12-10(14)13-6-4-5-9(7-13)11-3/h8-9H,4-7H2,1-2H3,(H,12,14)
InChIKeyIHNQXUULGDRXHK-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.49
Rot. Bonds1

About 3-isocyano-N-propan-2-ylpiperidine-1-carboxamide

3-isocyano-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 140701230) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-isocyano-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-isocyano-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID140701230
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-isocyano-N-propan-2-ylpiperidine-1-carboxamide
SMILES[C-]#[N+]C1CCCN(C(=O)NC(C)C)C1
InChIInChI=1S/C10H17N3O/c1-8(2)12-10(14)13-6-4-5-9(7-13)11-3/h8-9H,4-7H2,1-2H3,(H,12,14)
InChIKeyIHNQXUULGDRXHK-UHFFFAOYSA-N
XLogP1.49
TPSA36.70 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-isocyano-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 3-isocyano-N-propan-2-ylpiperidine-1-carboxamide (CID 140701230) is 3-isocyano-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 3-isocyano-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 3-isocyano-N-propan-2-ylpiperidine-1-carboxamide is [C-]#[N+]C1CCCN(C(=O)NC(C)C)C1.
What is the InChIKey of 3-isocyano-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is IHNQXUULGDRXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)12-10(14)13-6-4-5-9(7-13)11-3/h8-9H,4-7H2,1-2H3,(H,12,14).
What are the key properties of 3-isocyano-N-propan-2-ylpiperidine-1-carboxamide?
3-isocyano-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 195.27 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyano-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 140701230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).