2-cyano-N-methyl-N-(1-methylpiperidin-3-yl)butanamide

C12H21N3O — CID 62547851

IUPAC2-cyano-N-methyl-N-(1-methylpiperidin-3-yl)butanamide
SMILESCCC(C#N)C(=O)N(C)C1CCCN(C)C1
InChIInChI=1S/C12H21N3O/c1-4-10(8-13)12(16)15(3)11-6-5-7-14(2)9-11/h10-11H,4-7,9H2,1-3H3
InChIKeyVIKPKJPREXJGOT-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.09
Rot. Bonds3

About 2-cyano-N-methyl-N-(1-methylpiperidin-3-yl)butanamide

2-cyano-N-methyl-N-(1-methylpiperidin-3-yl)butanamide (PubChem CID 62547851) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-(1-methylpiperidin-3-yl)butanamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-(1-methylpiperidin-3-yl)butanamide
PubChem CID62547851
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-cyano-N-methyl-N-(1-methylpiperidin-3-yl)butanamide
SMILESCCC(C#N)C(=O)N(C)C1CCCN(C)C1
InChIInChI=1S/C12H21N3O/c1-4-10(8-13)12(16)15(3)11-6-5-7-14(2)9-11/h10-11H,4-7,9H2,1-3H3
InChIKeyVIKPKJPREXJGOT-UHFFFAOYSA-N
XLogP1.09
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyano-N-methyl-N-(1-methylpiperidin-3-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)butanamide
CID 62547118
1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea
CID 116655563
4-amino-5-[methyl-(1-methylpiperidin-3-yl)amino]-5-oxopentanoic acid
CID 64889930
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
CID 66565804
1-cyano-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide
CID 79005497
N-methyl-N-(1-methylpiperidin-3-yl)-2-oxopropanamide
CID 115175567
2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]-4-oxobutanoic acid
CID 115165054
2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide
CID 114328609
1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116655575
2-cyano-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide
CID 115188639
2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile
CID 62548009

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-(1-methylpiperidin-3-yl)butanamide?
The IUPAC name of 2-cyano-N-methyl-N-(1-methylpiperidin-3-yl)butanamide (CID 62547851) is 2-cyano-N-methyl-N-(1-methylpiperidin-3-yl)butanamide.
What is the SMILES notation for 2-cyano-N-methyl-N-(1-methylpiperidin-3-yl)butanamide?
The canonical SMILES for 2-cyano-N-methyl-N-(1-methylpiperidin-3-yl)butanamide is CCC(C#N)C(=O)N(C)C1CCCN(C)C1.
What is the InChIKey of 2-cyano-N-methyl-N-(1-methylpiperidin-3-yl)butanamide?
The InChIKey is VIKPKJPREXJGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-10(8-13)12(16)15(3)11-6-5-7-14(2)9-11/h10-11H,4-7,9H2,1-3H3.
What are the key properties of 2-cyano-N-methyl-N-(1-methylpiperidin-3-yl)butanamide?
2-cyano-N-methyl-N-(1-methylpiperidin-3-yl)butanamide has a molecular weight of 223.32 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-(1-methylpiperidin-3-yl)butanamide is sourced from PubChem (CID 62547851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).