2-(N-acetyl-4-piperidin-1-ylanilino)-N-(pyridin-2-ylmethyl)acetamide

C21H26N4O2 — CID 113177122

IUPAC2-(N-acetyl-4-piperidin-1-ylanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccccn1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H26N4O2/c1-17(26)25(16-21(27)23-15-18-7-3-4-12-22-18)20-10-8-19(9-11-20)24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,23,27)
InChIKeyYREZLKQVNVPFRX-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.74
Rot. Bonds6

About 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(pyridin-2-ylmethyl)acetamide

2-(N-acetyl-4-piperidin-1-ylanilino)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 113177122) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-piperidin-1-ylanilino)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID113177122
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-(N-acetyl-4-piperidin-1-ylanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccccn1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H26N4O2/c1-17(26)25(16-21(27)23-15-18-7-3-4-12-22-18)20-10-8-19(9-11-20)24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,23,27)
InChIKeyYREZLKQVNVPFRX-UHFFFAOYSA-N
XLogP2.74
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(pyridin-2-ylmethyl)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-(N-acetyl-4-piperidin-1-ylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 113177110
2-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 110648259
2-(N-acetyl-3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 113181594
3-(N-acetyl-4-piperidin-1-ylanilino)-N-benzylpropanamide
CID 113132055
2-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)acetamide
CID 113177113
2,2-dimethyl-N-(pyridin-2-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108963447
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109204576
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide
CID 113177031
N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-phenoxyacetamide
CID 113062387
methyl 4-[acetyl-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]amino]benzoate
CID 113131495
2-(N-acetyl-2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 113178011
4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108394

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(pyridin-2-ylmethyl)acetamide (CID 113177122) is 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(pyridin-2-ylmethyl)acetamide is CC(=O)N(CC(=O)NCc1ccccn1)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is YREZLKQVNVPFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-17(26)25(16-21(27)23-15-18-7-3-4-12-22-18)20-10-8-19(9-11-20)24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,23,27).
What are the key properties of 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(pyridin-2-ylmethyl)acetamide?
2-(N-acetyl-4-piperidin-1-ylanilino)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 366.47 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 113177122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).