1-cyano-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide

C13H21N3O — CID 79005497

IUPAC1-cyano-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide
SMILESCN1CCCC(N(C)C(=O)C2(C#N)CCC2)C1
InChIInChI=1S/C13H21N3O/c1-15-8-3-5-11(9-15)16(2)12(17)13(10-14)6-4-7-13/h11H,3-9H2,1-2H3
InChIKeyPULZARCXLRLVOH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.23
Rot. Bonds2

About 1-cyano-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide

1-cyano-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide (PubChem CID 79005497) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide
PubChem CID79005497
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-cyano-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide
SMILESCN1CCCC(N(C)C(=O)C2(C#N)CCC2)C1
InChIInChI=1S/C13H21N3O/c1-15-8-3-5-11(9-15)16(2)12(17)13(10-14)6-4-7-13/h11H,3-9H2,1-2H3
InChIKeyPULZARCXLRLVOH-UHFFFAOYSA-N
XLogP1.23
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide (CID 79005497) is 1-cyano-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide is CN1CCCC(N(C)C(=O)C2(C#N)CCC2)C1.
What is the InChIKey of 1-cyano-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide?
The InChIKey is PULZARCXLRLVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15-8-3-5-11(9-15)16(2)12(17)13(10-14)6-4-7-13/h11H,3-9H2,1-2H3.
What are the key properties of 1-cyano-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide?
1-cyano-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 79005497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).