2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide

C11H20N4O — CID 63339132

IUPAC2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide
SMILESCCC(C#N)N1CCN(CC(=O)NC)CC1
InChIInChI=1S/C11H20N4O/c1-3-10(8-12)15-6-4-14(5-7-15)9-11(16)13-2/h10H,3-7,9H2,1-2H3,(H,13,16)
InChIKeyYBMHBUFMTICCLM-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.35
Rot. Bonds4

About 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide

2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 63339132) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide
PubChem CID63339132
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide
SMILESCCC(C#N)N1CCN(CC(=O)NC)CC1
InChIInChI=1S/C11H20N4O/c1-3-10(8-12)15-6-4-14(5-7-15)9-11(16)13-2/h10H,3-7,9H2,1-2H3,(H,13,16)
InChIKeyYBMHBUFMTICCLM-UHFFFAOYSA-N
XLogP-0.35
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide 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-[4-(1-cyanopropyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 63339437
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butanenitrile
CID 63339094
propan-2-yl 2-[4-(1-cyanopropyl)piperazin-1-yl]acetate
CID 63339566
3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide
CID 63340023
ethane;N-methyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 170709333
2-[4-(1-cyanopropyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 63339432
2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63338955
2-[4-(2,2-difluoroethyl)piperazin-1-yl]butanenitrile
CID 55219345
2-[4,7-bis(carboxymethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 19838418
2-[4-(2-aminobutanoyl)piperazin-1-yl]-N-methylacetamide
CID 54869276
2-[4-(1-cyanopropyl)piperazin-1-yl]-N,N-dimethylpropanamide
CID 63338740
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanenitrile
CID 55211744

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide (CID 63339132) is 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide is CCC(C#N)N1CCN(CC(=O)NC)CC1.
What is the InChIKey of 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is YBMHBUFMTICCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-10(8-12)15-6-4-14(5-7-15)9-11(16)13-2/h10H,3-7,9H2,1-2H3,(H,13,16).
What are the key properties of 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide?
2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 224.31 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 63339132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).