N-(2-cyanoethyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide

C14H26N4O — CID 106636144

IUPACN-(2-cyanoethyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)NCCC#N)CC1CCCCN1
InChIInChI=1S/C14H26N4O/c1-2-10-18(11-13-6-3-4-8-16-13)12-14(19)17-9-5-7-15/h13,16H,2-6,8-12H2,1H3,(H,17,19)
InChIKeyZRMHSOBQQKZUDF-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.87
Rot. Bonds8

About N-(2-cyanoethyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide

N-(2-cyanoethyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide (PubChem CID 106636144) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide
PubChem CID106636144
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(2-cyanoethyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)NCCC#N)CC1CCCCN1
InChIInChI=1S/C14H26N4O/c1-2-10-18(11-13-6-3-4-8-16-13)12-14(19)17-9-5-7-15/h13,16H,2-6,8-12H2,1H3,(H,17,19)
InChIKeyZRMHSOBQQKZUDF-UHFFFAOYSA-N
XLogP0.87
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.87
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-[piperidin-2-ylmethyl(propyl)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

2-[piperidin-2-ylmethyl(propyl)amino]-N-propylacetamide
CID 106636145
2-[piperidin-2-ylmethyl(propyl)amino]-N-(propylcarbamoyl)acetamide
CID 106635938
N-(ethylcarbamoyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide
CID 106636038
2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106615942
N-(2-methylbutan-2-yl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide
CID 106635885
N-tert-butyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616037
2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile
CID 106636097
N-(2-methylpropylcarbamoyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615591
N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide
CID 106635893
2-[piperidin-2-ylmethyl(propan-2-yl)amino]-N-propylacetamide
CID 106632199
2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxypropyl)acetamide
CID 106617530
N-methyl-2-[2-piperidin-2-ylethyl(propyl)amino]acetamide
CID 54984633

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide (CID 106636144) is N-(2-cyanoethyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide is CCCN(CC(=O)NCCC#N)CC1CCCCN1.
What is the InChIKey of N-(2-cyanoethyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide?
The InChIKey is ZRMHSOBQQKZUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-2-10-18(11-13-6-3-4-8-16-13)12-14(19)17-9-5-7-15/h13,16H,2-6,8-12H2,1H3,(H,17,19).
What are the key properties of N-(2-cyanoethyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide?
N-(2-cyanoethyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide has a molecular weight of 266.39 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide is sourced from PubChem (CID 106636144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).