N-[1-(cyanomethyl)piperidin-4-yl]-2-propylpentanamide

C15H27N3O — CID 115532353

IUPACN-[1-(cyanomethyl)piperidin-4-yl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC1CCN(CC#N)CC1
InChIInChI=1S/C15H27N3O/c1-3-5-13(6-4-2)15(19)17-14-7-10-18(11-8-14)12-9-16/h13-14H,3-8,10-12H2,1-2H3,(H,17,19)
InChIKeyGVROPYWSPXWUPI-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.31
Rot. Bonds7

About N-[1-(cyanomethyl)piperidin-4-yl]-2-propylpentanamide

N-[1-(cyanomethyl)piperidin-4-yl]-2-propylpentanamide (PubChem CID 115532353) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[1-(cyanomethyl)piperidin-4-yl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[1-(cyanomethyl)piperidin-4-yl]-2-propylpentanamide
PubChem CID115532353
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[1-(cyanomethyl)piperidin-4-yl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC1CCN(CC#N)CC1
InChIInChI=1S/C15H27N3O/c1-3-5-13(6-4-2)15(19)17-14-7-10-18(11-8-14)12-9-16/h13-14H,3-8,10-12H2,1-2H3,(H,17,19)
InChIKeyGVROPYWSPXWUPI-UHFFFAOYSA-N
XLogP2.31
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]-2-propylpentanamide?
The IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]-2-propylpentanamide (CID 115532353) is N-[1-(cyanomethyl)piperidin-4-yl]-2-propylpentanamide.
What is the SMILES notation for N-[1-(cyanomethyl)piperidin-4-yl]-2-propylpentanamide?
The canonical SMILES for N-[1-(cyanomethyl)piperidin-4-yl]-2-propylpentanamide is CCCC(CCC)C(=O)NC1CCN(CC#N)CC1.
What is the InChIKey of N-[1-(cyanomethyl)piperidin-4-yl]-2-propylpentanamide?
The InChIKey is GVROPYWSPXWUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-5-13(6-4-2)15(19)17-14-7-10-18(11-8-14)12-9-16/h13-14H,3-8,10-12H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(cyanomethyl)piperidin-4-yl]-2-propylpentanamide?
N-[1-(cyanomethyl)piperidin-4-yl]-2-propylpentanamide has a molecular weight of 265.40 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethyl)piperidin-4-yl]-2-propylpentanamide is sourced from PubChem (CID 115532353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).