1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-thiophen-3-ylpropan-1-one

C14H22N2OS — CID 120814120

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-thiophen-3-ylpropan-1-one
SMILESCC(C(=O)N1CCC(N)C(C)(C)C1)c1ccsc1
InChIInChI=1S/C14H22N2OS/c1-10(11-5-7-18-8-11)13(17)16-6-4-12(15)14(2,3)9-16/h5,7-8,10,12H,4,6,9,15H2,1-3H3
InChIKeySAKREVBZXLVQHE-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.44
Rot. Bonds2

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-thiophen-3-ylpropan-1-one

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-thiophen-3-ylpropan-1-one (PubChem CID 120814120) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-thiophen-3-ylpropan-1-one
PubChem CID120814120
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-thiophen-3-ylpropan-1-one
SMILESCC(C(=O)N1CCC(N)C(C)(C)C1)c1ccsc1
InChIInChI=1S/C14H22N2OS/c1-10(11-5-7-18-8-11)13(17)16-6-4-12(15)14(2,3)9-16/h5,7-8,10,12H,4,6,9,15H2,1-3H3
InChIKeySAKREVBZXLVQHE-UHFFFAOYSA-N
XLogP2.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 119410172
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one
CID 120819721
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one;hydrochloride
CID 120819720
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one;hydrochloride
CID 120803852
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride
CID 120817281
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 111435943
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-methylsulfanyl-2-phenylethanone
CID 120817338
1-(6-azaspiro[2.6]nonan-6-yl)-2-thiophen-3-ylpropan-1-one
CID 166247239
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-propan-2-ylthiophen-2-yl)methanone
CID 120814984
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-methoxyphenyl)sulfanylpropan-1-one
CID 120815924
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride
CID 120819474
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 120820178

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-thiophen-3-ylpropan-1-one (CID 120814120) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-thiophen-3-ylpropan-1-one is CC(C(=O)N1CCC(N)C(C)(C)C1)c1ccsc1.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-thiophen-3-ylpropan-1-one?
The InChIKey is SAKREVBZXLVQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(11-5-7-18-8-11)13(17)16-6-4-12(15)14(2,3)9-16/h5,7-8,10,12H,4,6,9,15H2,1-3H3.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-thiophen-3-ylpropan-1-one?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-thiophen-3-ylpropan-1-one has a molecular weight of 266.41 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 120814120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).