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

C18H22N4O2S — CID 89183176

IUPAC4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-1-carboxamide
SMILESCC(=O)NC1CCN(C(=O)Nc2cc(-c3cccs3)ccc2N)CC1
InChIInChI=1S/C18H22N4O2S/c1-12(23)20-14-6-8-22(9-7-14)18(24)21-16-11-13(4-5-15(16)19)17-3-2-10-25-17/h2-5,10-11,14H,6-9,19H2,1H3,(H,20,23)(H,21,24)
InChIKeyYDUSCKFRHARVGP-UHFFFAOYSA-N
MW358.47 g/mol
LogP3.13
Rot. Bonds3

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

4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-1-carboxamide (PubChem CID 89183176) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-1-carboxamide
PubChem CID89183176
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-1-carboxamide
SMILESCC(=O)NC1CCN(C(=O)Nc2cc(-c3cccs3)ccc2N)CC1
InChIInChI=1S/C18H22N4O2S/c1-12(23)20-14-6-8-22(9-7-14)18(24)21-16-11-13(4-5-15(16)19)17-3-2-10-25-17/h2-5,10-11,14H,6-9,19H2,1H3,(H,20,23)(H,21,24)
InChIKeyYDUSCKFRHARVGP-UHFFFAOYSA-N
XLogP3.13
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 53.13
H-Bond Donors ≤ 53
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 4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-1-carboxamide (CID 89183176) is 4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-1-carboxamide is CC(=O)NC1CCN(C(=O)Nc2cc(-c3cccs3)ccc2N)CC1.
What is the InChIKey of 4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-1-carboxamide?
The InChIKey is YDUSCKFRHARVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-12(23)20-14-6-8-22(9-7-14)18(24)21-16-11-13(4-5-15(16)19)17-3-2-10-25-17/h2-5,10-11,14H,6-9,19H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-1-carboxamide?
4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-1-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 89183176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).