1-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-4-carboxamide

C18H21N3O2S — CID 71466578

IUPAC1-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc(-c3cccs3)ccc2N)CC1
InChIInChI=1S/C18H21N3O2S/c1-12(22)21-8-6-13(7-9-21)18(23)20-16-11-14(4-5-15(16)19)17-3-2-10-24-17/h2-5,10-11,13H,6-9,19H2,1H3,(H,20,23)
InChIKeyAOWNNPKBATYOEX-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.19
Rot. Bonds3

About 1-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-4-carboxamide

1-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 71466578) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-4-carboxamide
PubChem CID71466578
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc(-c3cccs3)ccc2N)CC1
InChIInChI=1S/C18H21N3O2S/c1-12(22)21-8-6-13(7-9-21)18(23)20-16-11-14(4-5-15(16)19)17-3-2-10-24-17/h2-5,10-11,13H,6-9,19H2,1H3,(H,20,23)
InChIKeyAOWNNPKBATYOEX-UHFFFAOYSA-N
XLogP3.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-4-carboxamide (CID 71466578) is 1-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2cc(-c3cccs3)ccc2N)CC1.
What is the InChIKey of 1-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is AOWNNPKBATYOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12(22)21-8-6-13(7-9-21)18(23)20-16-11-14(4-5-15(16)19)17-3-2-10-24-17/h2-5,10-11,13H,6-9,19H2,1H3,(H,20,23).
What are the key properties of 1-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-4-carboxamide?
1-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 71466578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).