2-[1-[(3-aminophenyl)methyl]piperidin-4-yl]acetamide

C14H21N3O — CID 54990221

IUPAC2-[1-[(3-aminophenyl)methyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(Cc2cccc(N)c2)CC1
InChIInChI=1S/C14H21N3O/c15-13-3-1-2-12(8-13)10-17-6-4-11(5-7-17)9-14(16)18/h1-3,8,11H,4-7,9-10,15H2,(H2,16,18)
InChIKeyLOXVTXQKONSVJZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.36
Rot. Bonds4

About 2-[1-[(3-aminophenyl)methyl]piperidin-4-yl]acetamide

2-[1-[(3-aminophenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 54990221) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[1-[(3-aminophenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(3-aminophenyl)methyl]piperidin-4-yl]acetamide
PubChem CID54990221
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[1-[(3-aminophenyl)methyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(Cc2cccc(N)c2)CC1
InChIInChI=1S/C14H21N3O/c15-13-3-1-2-12(8-13)10-17-6-4-11(5-7-17)9-14(16)18/h1-3,8,11H,4-7,9-10,15H2,(H2,16,18)
InChIKeyLOXVTXQKONSVJZ-UHFFFAOYSA-N
XLogP1.36
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[1-[(3-aminophenyl)methyl]piperidin-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

Related Compounds

3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline
CID 61440176
ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
CID 2800723
3-(azepan-1-ylmethyl)aniline
CID 6484183
3-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 119872361
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide
CID 17221703
2-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]acetamide
CID 54949208
2-[1-[2-(3-aminophenyl)propanoyl]piperidin-4-yl]acetamide
CID 106591103
1-[4-[(3-aminophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 58293892
3-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]propanamide
CID 77083170
3-[[4-(2-ethoxy-2-oxoethyl)piperidin-1-yl]methyl]benzoic acid
CID 122028667
2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide
CID 54989522
ethyl 2-[4-[(3-aminophenyl)methyl]piperazin-1-yl]acetate
CID 22330214

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-aminophenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[(3-aminophenyl)methyl]piperidin-4-yl]acetamide (CID 54990221) is 2-[1-[(3-aminophenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[(3-aminophenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[(3-aminophenyl)methyl]piperidin-4-yl]acetamide is NC(=O)CC1CCN(Cc2cccc(N)c2)CC1.
What is the InChIKey of 2-[1-[(3-aminophenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is LOXVTXQKONSVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-13-3-1-2-12(8-13)10-17-6-4-11(5-7-17)9-14(16)18/h1-3,8,11H,4-7,9-10,15H2,(H2,16,18).
What are the key properties of 2-[1-[(3-aminophenyl)methyl]piperidin-4-yl]acetamide?
2-[1-[(3-aminophenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-aminophenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 54990221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).