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

C16H26N4O — CID 68550086

IUPAC2-[4-(aminomethyl)piperidin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)CN2CCC(CN)CC2)cc1
InChIInChI=1S/C16H26N4O/c1-19(2)15-5-3-14(4-6-15)18-16(21)12-20-9-7-13(11-17)8-10-20/h3-6,13H,7-12,17H2,1-2H3,(H,18,21)
InChIKeyTWXRALCOTBPFSF-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.36
Rot. Bonds5

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

2-[4-(aminomethyl)piperidin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 68550086) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperidin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)piperidin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID68550086
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[4-(aminomethyl)piperidin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)CN2CCC(CN)CC2)cc1
InChIInChI=1S/C16H26N4O/c1-19(2)15-5-3-14(4-6-15)18-16(21)12-20-9-7-13(11-17)8-10-20/h3-6,13H,7-12,17H2,1-2H3,(H,18,21)
InChIKeyTWXRALCOTBPFSF-UHFFFAOYSA-N
XLogP1.36
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 78829560
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 42014034
N-[4-(aminomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246107
(Z)-but-2-enedioic acid;N-[4-(dimethylamino)phenyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 20841508
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 16597798
N-(4-acetamidophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2697828
2-cyclopentyl-N-[4-(dimethylamino)phenyl]acetamide
CID 47097970
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248697
N-[4-(aminomethyl)phenyl]-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103494265
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 47284409
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 60510320

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide (CID 68550086) is 2-[4-(aminomethyl)piperidin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)piperidin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)piperidin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide is CN(C)c1ccc(NC(=O)CN2CCC(CN)CC2)cc1.
What is the InChIKey of 2-[4-(aminomethyl)piperidin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is TWXRALCOTBPFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19(2)15-5-3-14(4-6-15)18-16(21)12-20-9-7-13(11-17)8-10-20/h3-6,13H,7-12,17H2,1-2H3,(H,18,21).
What are the key properties of 2-[4-(aminomethyl)piperidin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide?
2-[4-(aminomethyl)piperidin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)piperidin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 68550086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).