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

C17H21N3OS — CID 71466577

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc(-c3cccs3)ccc2N)CC1
InChIInChI=1S/C17H21N3OS/c1-20-8-6-12(7-9-20)17(21)19-15-11-13(4-5-14(15)18)16-3-2-10-22-16/h2-5,10-12H,6-9,18H2,1H3,(H,19,21)
InChIKeyPZHNGGRHGCCBDL-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.28
Rot. Bonds3

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

N-(2-amino-5-thiophen-2-ylphenyl)-1-methylpiperidine-4-carboxamide (PubChem CID 71466577) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-1-methylpiperidine-4-carboxamide
PubChem CID71466577
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc(-c3cccs3)ccc2N)CC1
InChIInChI=1S/C17H21N3OS/c1-20-8-6-12(7-9-20)17(21)19-15-11-13(4-5-14(15)18)16-3-2-10-22-16/h2-5,10-12H,6-9,18H2,1H3,(H,19,21)
InChIKeyPZHNGGRHGCCBDL-UHFFFAOYSA-N
XLogP3.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.28
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 N-(2-amino-5-thiophen-2-ylphenyl)-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-1-methylpiperidine-4-carboxamide (CID 71466577) is N-(2-amino-5-thiophen-2-ylphenyl)-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2cc(-c3cccs3)ccc2N)CC1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-1-methylpiperidine-4-carboxamide?
The InChIKey is PZHNGGRHGCCBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-20-8-6-12(7-9-20)17(21)19-15-11-13(4-5-14(15)18)16-3-2-10-22-16/h2-5,10-12H,6-9,18H2,1H3,(H,19,21).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-1-methylpiperidine-4-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-1-methylpiperidine-4-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 71466577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).