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

C15H21N3O2 — CID 60964094

IUPAC2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)Cc2ccc(N)cc2)CC1
InChIInChI=1S/C15H21N3O2/c16-13-3-1-11(2-4-13)10-15(20)18-7-5-12(6-8-18)9-14(17)19/h1-4,12H,5-10,16H2,(H2,17,19)
InChIKeyAPPOTMGUWOVKBX-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.93
Rot. Bonds4

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

2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]acetamide (PubChem CID 60964094) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]acetamide
PubChem CID60964094
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)Cc2ccc(N)cc2)CC1
InChIInChI=1S/C15H21N3O2/c16-13-3-1-11(2-4-13)10-15(20)18-7-5-12(6-8-18)9-14(17)19/h1-4,12H,5-10,16H2,(H2,17,19)
InChIKeyAPPOTMGUWOVKBX-UHFFFAOYSA-N
XLogP0.93
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879430
2-(4-aminophenyl)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone
CID 119698261
2-(4-aminophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64568201
2-(4-aminophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 119842927
N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 119702473
2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid
CID 28997512
2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 62936167
1-[2-(4-aminophenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63030537
2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 16773079
2-(4-aminophenyl)-1-(4-pyrrolidin-1-ylazepan-1-yl)ethanone
CID 119891341
2-(4-aminophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 79174351
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(4-aminophenyl)ethanone
CID 43620094

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]acetamide (CID 60964094) is 2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]acetamide is NC(=O)CC1CCN(C(=O)Cc2ccc(N)cc2)CC1.
What is the InChIKey of 2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]acetamide?
The InChIKey is APPOTMGUWOVKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-13-3-1-11(2-4-13)10-15(20)18-7-5-12(6-8-18)9-14(17)19/h1-4,12H,5-10,16H2,(H2,17,19).
What are the key properties of 2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]acetamide?
2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]acetamide has a molecular weight of 275.35 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 60964094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).