2-cyano-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide

C13H23N3O — CID 115173463

IUPAC2-cyano-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide
SMILESCN1CCC(C(C)(C)CNC(=O)CC#N)CC1
InChIInChI=1S/C13H23N3O/c1-13(2,10-15-12(17)4-7-14)11-5-8-16(3)9-6-11/h11H,4-6,8-10H2,1-3H3,(H,15,17)
InChIKeyLQUFFPLYINGJLT-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.38
Rot. Bonds4

About 2-cyano-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide

2-cyano-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide (PubChem CID 115173463) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-cyano-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide
PubChem CID115173463
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-cyano-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide
SMILESCN1CCC(C(C)(C)CNC(=O)CC#N)CC1
InChIInChI=1S/C13H23N3O/c1-13(2,10-15-12(17)4-7-14)11-5-8-16(3)9-6-11/h11H,4-6,8-10H2,1-3H3,(H,15,17)
InChIKeyLQUFFPLYINGJLT-UHFFFAOYSA-N
XLogP1.38
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(2-methyl-2-piperidin-4-ylpropyl)acetamide
CID 165439509
2-chloro-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide
CID 115162294
1-cyano-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]formamide
CID 115172849
2-hydroxy-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115140342
3-cyano-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide
CID 115174091
3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115155136
2,2-dimethyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanenitrile
CID 115234404
N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115191509
3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide
CID 115174087
2-(cyclopropylamino)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115158616
4-amino-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]pentanamide
CID 115156862
4-amino-3,3-dimethyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115157486

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide?
The IUPAC name of 2-cyano-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide (CID 115173463) is 2-cyano-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide is CN1CCC(C(C)(C)CNC(=O)CC#N)CC1.
What is the InChIKey of 2-cyano-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide?
The InChIKey is LQUFFPLYINGJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,10-15-12(17)4-7-14)11-5-8-16(3)9-6-11/h11H,4-6,8-10H2,1-3H3,(H,15,17).
What are the key properties of 2-cyano-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide?
2-cyano-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide has a molecular weight of 237.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide is sourced from PubChem (CID 115173463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).