1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide

C14H19N3O2 — CID 28711990

IUPAC1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2cccc(N)c2)CC1
InChIInChI=1S/C14H19N3O2/c15-12-3-1-2-10(8-12)9-13(18)17-6-4-11(5-7-17)14(16)19/h1-3,8,11H,4-7,9,15H2,(H2,16,19)
InChIKeyKJOGGBGHUQAPTB-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.54
Rot. Bonds3

About 1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide

1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide (PubChem CID 28711990) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide
PubChem CID28711990
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2cccc(N)c2)CC1
InChIInChI=1S/C14H19N3O2/c15-12-3-1-2-10(8-12)9-13(18)17-6-4-11(5-7-17)14(16)19/h1-3,8,11H,4-7,9,15H2,(H2,16,19)
InChIKeyKJOGGBGHUQAPTB-UHFFFAOYSA-N
XLogP0.54
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.54
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

1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
2-(3-aminophenyl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 62499161
2-(3-aminophenyl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone
CID 62499348
2-(3-aminophenyl)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63972458
2-(3-aminophenyl)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 28689676
2-(3-aminophenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 62499989
2-(3-aminophenyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62499024
2-(3-aminophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 65350257
3-(3-aminophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43309005
1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide
CID 51218966
2-[(3S)-1-[2-(3-aminophenyl)acetyl]piperidin-3-yl]acetic acid
CID 124512791
2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 43831264

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide (CID 28711990) is 1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)Cc2cccc(N)c2)CC1.
What is the InChIKey of 1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide?
The InChIKey is KJOGGBGHUQAPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-12-3-1-2-10(8-12)9-13(18)17-6-4-11(5-7-17)14(16)19/h1-3,8,11H,4-7,9,15H2,(H2,16,19).
What are the key properties of 1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide?
1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 28711990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).