3-cyano-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide

C14H25N3O — CID 115174091

IUPAC3-cyano-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide
SMILESCN1CCCC(C(C)(C)CNC(=O)CCC#N)C1
InChIInChI=1S/C14H25N3O/c1-14(2,11-16-13(18)7-4-8-15)12-6-5-9-17(3)10-12/h12H,4-7,9-11H2,1-3H3,(H,16,18)
InChIKeyTYBBCANUSFYMNZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.77
Rot. Bonds5

About 3-cyano-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide

3-cyano-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide (PubChem CID 115174091) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-cyano-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide.

Molecular Properties

Compound Name3-cyano-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide
PubChem CID115174091
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-cyano-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide
SMILESCN1CCCC(C(C)(C)CNC(=O)CCC#N)C1
InChIInChI=1S/C14H25N3O/c1-14(2,11-16-13(18)7-4-8-15)12-6-5-9-17(3)10-12/h12H,4-7,9-11H2,1-3H3,(H,16,18)
InChIKeyTYBBCANUSFYMNZ-UHFFFAOYSA-N
XLogP1.77
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide
CID 115174087
N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]acetamide
CID 115191508
[2-methyl-2-(1-methylpiperidin-3-yl)propyl]carbamothioic S-acid
CID 115170602
2-(cyclopropylamino)-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]acetamide
CID 115158615
N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]-2-(propan-2-ylamino)acetamide
CID 115158389
2-hydroxy-2-methyl-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide
CID 115179064
1-cyano-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]formamide
CID 115172849
4-amino-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]pentanamide
CID 115156862
2-hydroxy-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115140342
3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 115173838
2-cyano-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide
CID 115173463
3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115155136

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide?
The IUPAC name of 3-cyano-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide (CID 115174091) is 3-cyano-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide.
What is the SMILES notation for 3-cyano-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide?
The canonical SMILES for 3-cyano-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide is CN1CCCC(C(C)(C)CNC(=O)CCC#N)C1.
What is the InChIKey of 3-cyano-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide?
The InChIKey is TYBBCANUSFYMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-14(2,11-16-13(18)7-4-8-15)12-6-5-9-17(3)10-12/h12H,4-7,9-11H2,1-3H3,(H,16,18).
What are the key properties of 3-cyano-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide?
3-cyano-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide has a molecular weight of 251.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide is sourced from PubChem (CID 115174091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).