(3-bromothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone

C11H14BrNO2S — CID 115874812

IUPAC(3-bromothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)c2sccc2Br)C1
InChIInChI=1S/C11H14BrNO2S/c1-11(15)4-2-5-13(7-11)10(14)9-8(12)3-6-16-9/h3,6,15H,2,4-5,7H2,1H3
InChIKeyLFFTZKAJUPALBN-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.50
Rot. Bonds1

About (3-bromothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone

(3-bromothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 115874812) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID115874812
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name(3-bromothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)c2sccc2Br)C1
InChIInChI=1S/C11H14BrNO2S/c1-11(15)4-2-5-13(7-11)10(14)9-8(12)3-6-16-9/h3,6,15H,2,4-5,7H2,1H3
InChIKeyLFFTZKAJUPALBN-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Bromothiophen-2-yl)-morpholin-4-ylmethanone
CID 23438053
(3-Bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 47039165
1-[4-(3-Bromothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 47219251
3-bromo-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 65111770
[4-(2-Hydroxy-2-methylpropyl)piperazin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone
CID 71878239
3-bromo-N,N-diethylthiophene-2-carboxamide
CID 54461600
1-(3-Bromothiophene-2-carbonyl)piperidine-3-carboxamide
CID 45826326
(3-Bromothiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 55028055
(3-Bromothiophen-2-yl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 56795066
(3-Bromothiophen-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 65537264
(3-bromothiophen-2-yl)-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 95635656
(3-bromothiophen-2-yl)-[(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 95635657

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone (CID 115874812) is (3-bromothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone is CC1(O)CCCN(C(=O)c2sccc2Br)C1.
What is the InChIKey of (3-bromothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is LFFTZKAJUPALBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-11(15)4-2-5-13(7-11)10(14)9-8(12)3-6-16-9/h3,6,15H,2,4-5,7H2,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
(3-bromothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 304.21 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 115874812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).