1-(3-amino-2,2-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone

C13H20N2OS — CID 115269326

IUPAC1-(3-amino-2,2-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone
SMILESCC1(C)C(N)CCCN1C(=O)Cc1cccs1
InChIInChI=1S/C13H20N2OS/c1-13(2)11(14)6-3-7-15(13)12(16)9-10-5-4-8-17-10/h4-5,8,11H,3,6-7,9,14H2,1-2H3
InChIKeyNBKRIQRRBUVHAD-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.02
Rot. Bonds2

About 1-(3-amino-2,2-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone

1-(3-amino-2,2-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone (PubChem CID 115269326) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(3-amino-2,2-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(3-amino-2,2-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone
PubChem CID115269326
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-(3-amino-2,2-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone
SMILESCC1(C)C(N)CCCN1C(=O)Cc1cccs1
InChIInChI=1S/C13H20N2OS/c1-13(2)11(14)6-3-7-15(13)12(16)9-10-5-4-8-17-10/h4-5,8,11H,3,6-7,9,14H2,1-2H3
InChIKeyNBKRIQRRBUVHAD-UHFFFAOYSA-N
XLogP2.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 120818385
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 81483813
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanone
CID 1093249
1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119411974
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 39086648
1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 28706496
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-(3-amino-2,2-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 115269305
1-[3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119465007
3-methyl-1-(2-thiophen-2-ylacetyl)piperidine-2-carboxylic acid
CID 107069583
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone
CID 110327319
1-[2-(4-methylphenyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 50747412

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,2-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(3-amino-2,2-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone (CID 115269326) is 1-(3-amino-2,2-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(3-amino-2,2-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(3-amino-2,2-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone is CC1(C)C(N)CCCN1C(=O)Cc1cccs1.
What is the InChIKey of 1-(3-amino-2,2-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone?
The InChIKey is NBKRIQRRBUVHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-13(2)11(14)6-3-7-15(13)12(16)9-10-5-4-8-17-10/h4-5,8,11H,3,6-7,9,14H2,1-2H3.
What are the key properties of 1-(3-amino-2,2-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone?
1-(3-amino-2,2-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 252.38 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,2-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 115269326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).