N-(2-cyanoethyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide

C13H24N4O — CID 60695587

IUPACN-(2-cyanoethyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide
SMILESCCCN1CCC(NCC(=O)NCCC#N)CC1
InChIInChI=1S/C13H24N4O/c1-2-8-17-9-4-12(5-10-17)16-11-13(18)15-7-3-6-14/h12,16H,2-5,7-11H2,1H3,(H,15,18)
InChIKeyZMJFMTLGHCCTRG-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.48
Rot. Bonds7

About N-(2-cyanoethyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide

N-(2-cyanoethyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide (PubChem CID 60695587) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide
PubChem CID60695587
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(2-cyanoethyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide
SMILESCCCN1CCC(NCC(=O)NCCC#N)CC1
InChIInChI=1S/C13H24N4O/c1-2-8-17-9-4-12(5-10-17)16-11-13(18)15-7-3-6-14/h12,16H,2-5,7-11H2,1H3,(H,15,18)
InChIKeyZMJFMTLGHCCTRG-UHFFFAOYSA-N
XLogP0.48
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-cyanoethyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide 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

N-pentan-2-yl-2-[(1-propylpiperidin-4-yl)amino]acetamide
CID 60695886
N-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60697915
N-(2-cyanoethyl)-2-[(3-ethylcyclohexyl)amino]acetamide
CID 64743964
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide
CID 119164761
ethyl 2-[(1-propylpiperidin-4-yl)amino]acetate
CID 60681705
N-(4-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide
CID 60695712
2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 60843562
N-(2-cyanoethyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetamide
CID 43401906
1-(4-methylpiperazin-1-yl)-2-[(1-propylpiperidin-4-yl)amino]ethanone
CID 60695559
1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]ethanone
CID 60695761
2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(2-cyanoethyl)acetamide
CID 43180244
N-(2-cyanoethyl)-2-[(2,4-dimethylcyclohexyl)amino]acetamide
CID 63995878

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide (CID 60695587) is N-(2-cyanoethyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide is CCCN1CCC(NCC(=O)NCCC#N)CC1.
What is the InChIKey of N-(2-cyanoethyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide?
The InChIKey is ZMJFMTLGHCCTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-2-8-17-9-4-12(5-10-17)16-11-13(18)15-7-3-6-14/h12,16H,2-5,7-11H2,1H3,(H,15,18).
What are the key properties of N-(2-cyanoethyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide?
N-(2-cyanoethyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide has a molecular weight of 252.36 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide is sourced from PubChem (CID 60695587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).