N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide

C21H27N3O — CID 110650708

IUPACN-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide
SMILESCN(C)c1ccc(NC(=O)Cc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H27N3O/c1-23(2)19-12-8-18(9-13-19)22-21(25)16-17-6-10-20(11-7-17)24-14-4-3-5-15-24/h6-13H,3-5,14-16H2,1-2H3,(H,22,25)
InChIKeyJGCCNMLOROMXOR-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.92
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide

N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 110650708) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide
PubChem CID110650708
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide
SMILESCN(C)c1ccc(NC(=O)Cc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H27N3O/c1-23(2)19-12-8-18(9-13-19)22-21(25)16-17-6-10-20(11-7-17)24-14-4-3-5-15-24/h6-13H,3-5,14-16H2,1-2H3,(H,22,25)
InChIKeyJGCCNMLOROMXOR-UHFFFAOYSA-N
XLogP3.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 112985752
N-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109010337
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
N-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409479
methyl 4-[[2-(4-piperidin-1-ylphenyl)acetyl]amino]benzoate
CID 110409606
N-[4-(diethylamino)phenyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110424765
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
3-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]-3-oxopropanamide
CID 108952723
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108953212
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100510867

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide (CID 110650708) is N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide is CN(C)c1ccc(NC(=O)Cc2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is JGCCNMLOROMXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-23(2)19-12-8-18(9-13-19)22-21(25)16-17-6-10-20(11-7-17)24-14-4-3-5-15-24/h6-13H,3-5,14-16H2,1-2H3,(H,22,25).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide?
N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 337.47 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 110650708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).