(2-amino-4-methyl-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone

C17H20N2OS — CID 2090156

IUPAC(2-amino-4-methyl-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone
SMILESCc1c(-c2ccccc2)sc(N)c1C(=O)N1CCCCC1
InChIInChI=1S/C17H20N2OS/c1-12-14(17(20)19-10-6-3-7-11-19)16(18)21-15(12)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11,18H2,1H3
InChIKeyNERRUASWXPQBFF-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.93
Rot. Bonds2

About (2-amino-4-methyl-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone

(2-amino-4-methyl-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone (PubChem CID 2090156) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is (2-amino-4-methyl-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-amino-4-methyl-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone
PubChem CID2090156
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name(2-amino-4-methyl-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone
SMILESCc1c(-c2ccccc2)sc(N)c1C(=O)N1CCCCC1
InChIInChI=1S/C17H20N2OS/c1-12-14(17(20)19-10-6-3-7-11-19)16(18)21-15(12)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11,18H2,1H3
InChIKeyNERRUASWXPQBFF-UHFFFAOYSA-N
XLogP3.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2-amino-4-methyl-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone (CID 2090156) is (2-amino-4-methyl-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-amino-4-methyl-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-amino-4-methyl-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone is Cc1c(-c2ccccc2)sc(N)c1C(=O)N1CCCCC1.
What is the InChIKey of (2-amino-4-methyl-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone?
The InChIKey is NERRUASWXPQBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12-14(17(20)19-10-6-3-7-11-19)16(18)21-15(12)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11,18H2,1H3.
What are the key properties of (2-amino-4-methyl-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone?
(2-amino-4-methyl-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone has a molecular weight of 300.43 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 2090156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).