2-(N-cyano-3-ethylanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide

C19H28N4O — CID 75379272

IUPAC2-(N-cyano-3-ethylanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCCc1cccc(N(C#N)CC(=O)NC2CCN(C(C)C)CC2)c1
InChIInChI=1S/C19H28N4O/c1-4-16-6-5-7-18(12-16)23(14-20)13-19(24)21-17-8-10-22(11-9-17)15(2)3/h5-7,12,15,17H,4,8-11,13H2,1-3H3,(H,21,24)
InChIKeyZMIGCPUBJXTSCU-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.53
Rot. Bonds6

About 2-(N-cyano-3-ethylanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide

2-(N-cyano-3-ethylanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 75379272) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-(N-cyano-3-ethylanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(N-cyano-3-ethylanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID75379272
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name2-(N-cyano-3-ethylanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCCc1cccc(N(C#N)CC(=O)NC2CCN(C(C)C)CC2)c1
InChIInChI=1S/C19H28N4O/c1-4-16-6-5-7-18(12-16)23(14-20)13-19(24)21-17-8-10-22(11-9-17)15(2)3/h5-7,12,15,17H,4,8-11,13H2,1-3H3,(H,21,24)
InChIKeyZMIGCPUBJXTSCU-UHFFFAOYSA-N
XLogP2.53
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze 2-(N-cyano-3-ethylanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(N-cyano-3-ethylanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(N-cyano-3-ethylanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 75379272) is 2-(N-cyano-3-ethylanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(N-cyano-3-ethylanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(N-cyano-3-ethylanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide is CCc1cccc(N(C#N)CC(=O)NC2CCN(C(C)C)CC2)c1.
What is the InChIKey of 2-(N-cyano-3-ethylanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is ZMIGCPUBJXTSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-4-16-6-5-7-18(12-16)23(14-20)13-19(24)21-17-8-10-22(11-9-17)15(2)3/h5-7,12,15,17H,4,8-11,13H2,1-3H3,(H,21,24).
What are the key properties of 2-(N-cyano-3-ethylanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
2-(N-cyano-3-ethylanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 328.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-cyano-3-ethylanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 75379272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).