1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone

C12H17NOS — CID 3133602

IUPAC1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone
SMILESCC1CCCN(C(=O)Cc2cccs2)C1
InChIInChI=1S/C12H17NOS/c1-10-4-2-6-13(9-10)12(14)8-11-5-3-7-15-11/h3,5,7,10H,2,4,6,8-9H2,1H3
InChIKeyKPWYKRKCYJTGNN-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.55
Rot. Bonds2

About 1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone

1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone (PubChem CID 3133602) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone
PubChem CID3133602
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone
SMILESCC1CCCN(C(=O)Cc2cccs2)C1
InChIInChI=1S/C12H17NOS/c1-10-4-2-6-13(9-10)12(14)8-11-5-3-7-15-11/h3,5,7,10H,2,4,6,8-9H2,1H3
InChIKeyKPWYKRKCYJTGNN-UHFFFAOYSA-N
XLogP2.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 121446738
1-(1-Oxo-2-thiophen-2-ylethyl)-4-piperidinecarboxylic acid ethyl ester
CID 670001
1-(Methylsulfonyl)-4-(2-thienylacetyl)piperazine
CID 1246104
N,N-diethyl-1-[(3-methyl-2-thienyl)methyl]-3-piperidinecarboxamide
CID 2838079
2-(3,5-Dimethylpiperidin-1-yl)-1-thiophen-2-ylethanone
CID 5170821
1-Methyl-cyclohexanecarboxylic acid methyl-thiophen-2-ylmethyl-amide
CID 57576921
Morpholine, 4-(2-thienylacetyl)-
CID 531781
N,N-bis(cyanomethyl)-2-thiophen-2-ylacetamide
CID 842500
2-(4-Methylpiperidin-1-yl)-1-(thiophen-2-yl)ethan-1-one
CID 5081224
N-ethyl-1-(2-thiophen-2-ylacetyl)azepane-4-carboxamide
CID 49795307
1-(Piperazin-1-yl)-2-(thiophen-2-yl)ethan-1-one
CID 16769420
1-(4-Methylpiperazin-1-yl)-4-(thiophen-2-yl)butan-1-one
CID 60634783

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone (CID 3133602) is 1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone is CC1CCCN(C(=O)Cc2cccs2)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone?
The InChIKey is KPWYKRKCYJTGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-10-4-2-6-13(9-10)12(14)8-11-5-3-7-15-11/h3,5,7,10H,2,4,6,8-9H2,1H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone?
1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 223.34 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 3133602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).