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

C16H23N3O2 — CID 106591103

IUPAC2-[1-[2-(3-aminophenyl)propanoyl]piperidin-4-yl]acetamide
SMILESCC(C(=O)N1CCC(CC(N)=O)CC1)c1cccc(N)c1
InChIInChI=1S/C16H23N3O2/c1-11(13-3-2-4-14(17)10-13)16(21)19-7-5-12(6-8-19)9-15(18)20/h2-4,10-12H,5-9,17H2,1H3,(H2,18,20)
InChIKeyPXUVWNPRIJWSAL-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.49
Rot. Bonds4

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

2-[1-[2-(3-aminophenyl)propanoyl]piperidin-4-yl]acetamide (PubChem CID 106591103) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[1-[2-(3-aminophenyl)propanoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(3-aminophenyl)propanoyl]piperidin-4-yl]acetamide
PubChem CID106591103
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[1-[2-(3-aminophenyl)propanoyl]piperidin-4-yl]acetamide
SMILESCC(C(=O)N1CCC(CC(N)=O)CC1)c1cccc(N)c1
InChIInChI=1S/C16H23N3O2/c1-11(13-3-2-4-14(17)10-13)16(21)19-7-5-12(6-8-19)9-15(18)20/h2-4,10-12H,5-9,17H2,1H3,(H2,18,20)
InChIKeyPXUVWNPRIJWSAL-UHFFFAOYSA-N
XLogP1.49
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-1-(3-propylpyrrolidin-1-yl)propan-1-one
CID 106591777
2-[1-(3-amino-2-phenylpropanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 119727574
2-(3-aminophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 106591144
2-(3-aminophenyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 107210059
[1-[(2S)-2-(3-chlorophenyl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 96510197
2-(3-aminophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 106591659
2-[1-[(3-aminophenyl)methyl]piperidin-4-yl]acetamide
CID 54990221
4-[2-(3-aminophenyl)propanoyl]piperazine-2,6-dione
CID 106591581
2-(3-aminophenyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 106591398
2-(3-aminophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 106590972
2-(3-aminophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 106591460
2-(3-aminophenyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one
CID 106591734

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-aminophenyl)propanoyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[2-(3-aminophenyl)propanoyl]piperidin-4-yl]acetamide (CID 106591103) is 2-[1-[2-(3-aminophenyl)propanoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[2-(3-aminophenyl)propanoyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[2-(3-aminophenyl)propanoyl]piperidin-4-yl]acetamide is CC(C(=O)N1CCC(CC(N)=O)CC1)c1cccc(N)c1.
What is the InChIKey of 2-[1-[2-(3-aminophenyl)propanoyl]piperidin-4-yl]acetamide?
The InChIKey is PXUVWNPRIJWSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(13-3-2-4-14(17)10-13)16(21)19-7-5-12(6-8-19)9-15(18)20/h2-4,10-12H,5-9,17H2,1H3,(H2,18,20).
What are the key properties of 2-[1-[2-(3-aminophenyl)propanoyl]piperidin-4-yl]acetamide?
2-[1-[2-(3-aminophenyl)propanoyl]piperidin-4-yl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-aminophenyl)propanoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 106591103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).