(5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone

C13H18BrNOS — CID 62204901

IUPAC(5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2csc(Br)c2)CC1
InChIInChI=1S/C13H18BrNOS/c1-2-3-10-4-6-15(7-5-10)13(16)11-8-12(14)17-9-11/h8-10H,2-7H2,1H3
InChIKeyQJIQCHXUBKMJEY-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.16
Rot. Bonds3

About (5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone

(5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone (PubChem CID 62204901) has the molecular formula C13H18BrNOS and a molecular weight of 316.26 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone
PubChem CID62204901
Molecular FormulaC13H18BrNOS
Molecular Weight316.26 g/mol
Exact Mass315.03
IUPAC Name(5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2csc(Br)c2)CC1
InChIInChI=1S/C13H18BrNOS/c1-2-3-10-4-6-15(7-5-10)13(16)11-8-12(14)17-9-11/h8-10H,2-7H2,1H3
InChIKeyQJIQCHXUBKMJEY-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]propanoic acid
CID 62217831
[4-(aminomethyl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone
CID 103805374
(3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone
CID 107980414
[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(4-propylpiperidin-1-yl)methanone
CID 79696297
1-(5-bromothiophene-3-carbonyl)piperidine-4-carboxylic acid
CID 43354162
(3-aminopyrrolidin-1-yl)-(5-bromothiophen-3-yl)methanone;hydrochloride
CID 119483030
[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(4-propylazepan-1-yl)methanone
CID 79690949
1-(5-bromothiophene-3-carbonyl)-4-propylpyrrolidin-2-one
CID 104511933
(5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581702
(5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 61171322
(3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 107952466
(2-amino-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 62205465

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone (CID 62204901) is (5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone is CCCC1CCN(C(=O)c2csc(Br)c2)CC1.
What is the InChIKey of (5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone?
The InChIKey is QJIQCHXUBKMJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNOS/c1-2-3-10-4-6-15(7-5-10)13(16)11-8-12(14)17-9-11/h8-10H,2-7H2,1H3.
What are the key properties of (5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone?
(5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone has a molecular weight of 316.26 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 62204901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).