(4-amino-3,3-dimethylpiperidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone

C17H28N2OS — CID 120814485

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone
SMILESCCCc1sc(C(=O)N2CCC(N)C(C)(C)C2)cc1CC
InChIInChI=1S/C17H28N2OS/c1-5-7-13-12(6-2)10-14(21-13)16(20)19-9-8-15(18)17(3,4)11-19/h10,15H,5-9,11,18H2,1-4H3
InChIKeyHCEDGDXJPHCNTI-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.46
Rot. Bonds4

About (4-amino-3,3-dimethylpiperidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone (PubChem CID 120814485) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone
PubChem CID120814485
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone
SMILESCCCc1sc(C(=O)N2CCC(N)C(C)(C)C2)cc1CC
InChIInChI=1S/C17H28N2OS/c1-5-7-13-12(6-2)10-14(21-13)16(20)19-9-8-15(18)17(3,4)11-19/h10,15H,5-9,11,18H2,1-4H3
InChIKeyHCEDGDXJPHCNTI-UHFFFAOYSA-N
XLogP3.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone (CID 120814485) is (4-amino-3,3-dimethylpiperidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone is CCCc1sc(C(=O)N2CCC(N)C(C)(C)C2)cc1CC.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone?
The InChIKey is HCEDGDXJPHCNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-5-7-13-12(6-2)10-14(21-13)16(20)19-9-8-15(18)17(3,4)11-19/h10,15H,5-9,11,18H2,1-4H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone has a molecular weight of 308.49 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone is sourced from PubChem (CID 120814485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).