1-[3-(methylaminomethyl)piperidin-1-yl]-2-thiophen-3-ylethanone

C13H20N2OS — CID 61205444

IUPAC1-[3-(methylaminomethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESCNCC1CCCN(C(=O)Cc2ccsc2)C1
InChIInChI=1S/C13H20N2OS/c1-14-8-12-3-2-5-15(9-12)13(16)7-11-4-6-17-10-11/h4,6,10,12,14H,2-3,5,7-9H2,1H3
InChIKeyRZBLJZZJMHZJEI-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.75
Rot. Bonds4

About 1-[3-(methylaminomethyl)piperidin-1-yl]-2-thiophen-3-ylethanone

1-[3-(methylaminomethyl)piperidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 61205444) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)piperidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID61205444
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-[3-(methylaminomethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESCNCC1CCCN(C(=O)Cc2ccsc2)C1
InChIInChI=1S/C13H20N2OS/c1-14-8-12-3-2-5-15(9-12)13(16)7-11-4-6-17-10-11/h4,6,10,12,14H,2-3,5,7-9H2,1H3
InChIKeyRZBLJZZJMHZJEI-UHFFFAOYSA-N
XLogP1.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 29181741
2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 61399395
1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 71649381
1-[3-(3-methoxypropyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 70788695
1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 94407469
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 62349580
N-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
CID 119397628
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
1-[3-(methylaminomethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 119397988
(3R)-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
CID 94164984
1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 124995445
2-(3-bromo-4-fluorophenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 119397501

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[3-(methylaminomethyl)piperidin-1-yl]-2-thiophen-3-ylethanone (CID 61205444) is 1-[3-(methylaminomethyl)piperidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[3-(methylaminomethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[3-(methylaminomethyl)piperidin-1-yl]-2-thiophen-3-ylethanone is CNCC1CCCN(C(=O)Cc2ccsc2)C1.
What is the InChIKey of 1-[3-(methylaminomethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is RZBLJZZJMHZJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-14-8-12-3-2-5-15(9-12)13(16)7-11-4-6-17-10-11/h4,6,10,12,14H,2-3,5,7-9H2,1H3.
What are the key properties of 1-[3-(methylaminomethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
1-[3-(methylaminomethyl)piperidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 252.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)piperidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 61205444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).