(3-aminothiophen-2-yl)-(2-propylpiperidin-1-yl)methanone

C13H20N2OS — CID 83052263

IUPAC(3-aminothiophen-2-yl)-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1sccc1N
InChIInChI=1S/C13H20N2OS/c1-2-5-10-6-3-4-8-15(10)13(16)12-11(14)7-9-17-12/h7,9-10H,2-6,8,14H2,1H3
InChIKeyWCSQHWYQAMIRHF-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.13
Rot. Bonds3

About (3-aminothiophen-2-yl)-(2-propylpiperidin-1-yl)methanone

(3-aminothiophen-2-yl)-(2-propylpiperidin-1-yl)methanone (PubChem CID 83052263) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (3-aminothiophen-2-yl)-(2-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminothiophen-2-yl)-(2-propylpiperidin-1-yl)methanone
PubChem CID83052263
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(3-aminothiophen-2-yl)-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1sccc1N
InChIInChI=1S/C13H20N2OS/c1-2-5-10-6-3-4-8-15(10)13(16)12-11(14)7-9-17-12/h7,9-10H,2-6,8,14H2,1H3
InChIKeyWCSQHWYQAMIRHF-UHFFFAOYSA-N
XLogP3.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052111
1-(3-aminothiophene-2-carbonyl)-N-methylpiperidine-2-carboxamide
CID 61106763
(3-ethylthiophen-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636453
(2-amino-6-methylphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83053615
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
(3-amino-2,6-difluorophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83053205
(4-amino-3-nitrophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83045573
(2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 107689544
(3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052501
(2-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83056508
2-[1-(3-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
CID 54899521
(3-bromothiophen-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 63086030

Frequently Asked Questions

What is the IUPAC name of (3-aminothiophen-2-yl)-(2-propylpiperidin-1-yl)methanone?
The IUPAC name of (3-aminothiophen-2-yl)-(2-propylpiperidin-1-yl)methanone (CID 83052263) is (3-aminothiophen-2-yl)-(2-propylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-aminothiophen-2-yl)-(2-propylpiperidin-1-yl)methanone?
The canonical SMILES for (3-aminothiophen-2-yl)-(2-propylpiperidin-1-yl)methanone is CCCC1CCCCN1C(=O)c1sccc1N.
What is the InChIKey of (3-aminothiophen-2-yl)-(2-propylpiperidin-1-yl)methanone?
The InChIKey is WCSQHWYQAMIRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-2-5-10-6-3-4-8-15(10)13(16)12-11(14)7-9-17-12/h7,9-10H,2-6,8,14H2,1H3.
What are the key properties of (3-aminothiophen-2-yl)-(2-propylpiperidin-1-yl)methanone?
(3-aminothiophen-2-yl)-(2-propylpiperidin-1-yl)methanone has a molecular weight of 252.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminothiophen-2-yl)-(2-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 83052263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).