(3-bromothiophen-2-yl)-(4-ethylpiperidin-4-yl)methanone

C12H16BrNOS — CID 116568008

IUPAC(3-bromothiophen-2-yl)-(4-ethylpiperidin-4-yl)methanone
SMILESCCC1(C(=O)c2sccc2Br)CCNCC1
InChIInChI=1S/C12H16BrNOS/c1-2-12(4-6-14-7-5-12)11(15)10-9(13)3-8-16-10/h3,8,14H,2,4-7H2,1H3
InChIKeyPCITVQHLMIMCPM-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.47
Rot. Bonds3

About (3-bromothiophen-2-yl)-(4-ethylpiperidin-4-yl)methanone

(3-bromothiophen-2-yl)-(4-ethylpiperidin-4-yl)methanone (PubChem CID 116568008) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(4-ethylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(4-ethylpiperidin-4-yl)methanone
PubChem CID116568008
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC Name(3-bromothiophen-2-yl)-(4-ethylpiperidin-4-yl)methanone
SMILESCCC1(C(=O)c2sccc2Br)CCNCC1
InChIInChI=1S/C12H16BrNOS/c1-2-12(4-6-14-7-5-12)11(15)10-9(13)3-8-16-10/h3,8,14H,2,4-7H2,1H3
InChIKeyPCITVQHLMIMCPM-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromothiophen-2-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 116570545
(3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580442
2-(3-bromothiophen-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568661
(3-bromothiophen-2-yl)-(1-hydroxycyclohexyl)methanone
CID 103449752
1-(4-ethylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 116568006
1-(3-bromothiophen-2-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
CID 62028973
3-bromo-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide
CID 79720482
N-(4-bromo-2,5-difluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 107611654
(4-ethylpiperidin-4-yl)-(2-fluorophenyl)methanone
CID 116568013
(4-ethylpiperidin-4-yl)-(furan-3-yl)methanone
CID 116568189
N-(3-carbamoylthiophen-2-yl)-4-ethylpiperidine-4-carboxamide
CID 55177786
1-(3-bromothiophen-2-yl)-2-(3,5-dimethyl-1-adamantyl)ethanone
CID 80535331

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(4-ethylpiperidin-4-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(4-ethylpiperidin-4-yl)methanone (CID 116568008) is (3-bromothiophen-2-yl)-(4-ethylpiperidin-4-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(4-ethylpiperidin-4-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(4-ethylpiperidin-4-yl)methanone is CCC1(C(=O)c2sccc2Br)CCNCC1.
What is the InChIKey of (3-bromothiophen-2-yl)-(4-ethylpiperidin-4-yl)methanone?
The InChIKey is PCITVQHLMIMCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c1-2-12(4-6-14-7-5-12)11(15)10-9(13)3-8-16-10/h3,8,14H,2,4-7H2,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(4-ethylpiperidin-4-yl)methanone?
(3-bromothiophen-2-yl)-(4-ethylpiperidin-4-yl)methanone has a molecular weight of 302.24 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(4-ethylpiperidin-4-yl)methanone is sourced from PubChem (CID 116568008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).