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

C14H23N3O — CID 115183353

IUPAC1-cyano-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxamide
SMILESCN1CCCC(CN(C)C(=O)C2(C#N)CCC2)C1
InChIInChI=1S/C14H23N3O/c1-16-8-3-5-12(9-16)10-17(2)13(18)14(11-15)6-4-7-14/h12H,3-10H2,1-2H3
InChIKeyHWKMOVNCORZUHU-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.48
Rot. Bonds3

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

1-cyano-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 115183353) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxamide
PubChem CID115183353
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-cyano-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxamide
SMILESCN1CCCC(CN(C)C(=O)C2(C#N)CCC2)C1
InChIInChI=1S/C14H23N3O/c1-16-8-3-5-12(9-16)10-17(2)13(18)14(11-15)6-4-7-14/h12H,3-10H2,1-2H3
InChIKeyHWKMOVNCORZUHU-UHFFFAOYSA-N
XLogP1.48
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.48
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)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxamide (CID 115183353) is 1-cyano-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxamide is CN1CCCC(CN(C)C(=O)C2(C#N)CCC2)C1.
What is the InChIKey of 1-cyano-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is HWKMOVNCORZUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16-8-3-5-12(9-16)10-17(2)13(18)14(11-15)6-4-7-14/h12H,3-10H2,1-2H3.
What are the key properties of 1-cyano-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxamide?
1-cyano-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 1.48, 3 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)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115183353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).