(2-amino-5-hexylthiophen-3-yl)-piperidin-1-ylmethanone

C16H26N2OS — CID 43367352

IUPAC(2-amino-5-hexylthiophen-3-yl)-piperidin-1-ylmethanone
SMILESCCCCCCc1cc(C(=O)N2CCCCC2)c(N)s1
InChIInChI=1S/C16H26N2OS/c1-2-3-4-6-9-13-12-14(15(17)20-13)16(19)18-10-7-5-8-11-18/h12H,2-11,17H2,1H3
InChIKeyOSPXCQXRSFOPSB-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.08
Rot. Bonds6

About (2-amino-5-hexylthiophen-3-yl)-piperidin-1-ylmethanone

(2-amino-5-hexylthiophen-3-yl)-piperidin-1-ylmethanone (PubChem CID 43367352) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is (2-amino-5-hexylthiophen-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-amino-5-hexylthiophen-3-yl)-piperidin-1-ylmethanone
PubChem CID43367352
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name(2-amino-5-hexylthiophen-3-yl)-piperidin-1-ylmethanone
SMILESCCCCCCc1cc(C(=O)N2CCCCC2)c(N)s1
InChIInChI=1S/C16H26N2OS/c1-2-3-4-6-9-13-12-14(15(17)20-13)16(19)18-10-7-5-8-11-18/h12H,2-11,17H2,1H3
InChIKeyOSPXCQXRSFOPSB-UHFFFAOYSA-N
XLogP4.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-hexylthiophen-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2-amino-5-hexylthiophen-3-yl)-piperidin-1-ylmethanone (CID 43367352) is (2-amino-5-hexylthiophen-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-amino-5-hexylthiophen-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-amino-5-hexylthiophen-3-yl)-piperidin-1-ylmethanone is CCCCCCc1cc(C(=O)N2CCCCC2)c(N)s1.
What is the InChIKey of (2-amino-5-hexylthiophen-3-yl)-piperidin-1-ylmethanone?
The InChIKey is OSPXCQXRSFOPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-2-3-4-6-9-13-12-14(15(17)20-13)16(19)18-10-7-5-8-11-18/h12H,2-11,17H2,1H3.
What are the key properties of (2-amino-5-hexylthiophen-3-yl)-piperidin-1-ylmethanone?
(2-amino-5-hexylthiophen-3-yl)-piperidin-1-ylmethanone has a molecular weight of 294.46 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-hexylthiophen-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 43367352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).