(5-bromo-4-methylthiophen-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone

C15H23BrN2OS — CID 79964467

IUPAC(5-bromo-4-methylthiophen-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cc(C)c(Br)s2)CC1
InChIInChI=1S/C15H23BrN2OS/c1-4-17(5-2)12-6-8-18(9-7-12)15(19)13-10-11(3)14(16)20-13/h10,12H,4-9H2,1-3H3
InChIKeyCCIOPOJURCWUSK-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.77
Rot. Bonds4

About (5-bromo-4-methylthiophen-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone

(5-bromo-4-methylthiophen-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone (PubChem CID 79964467) has the molecular formula C15H23BrN2OS and a molecular weight of 359.33 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone
PubChem CID79964467
Molecular FormulaC15H23BrN2OS
Molecular Weight359.33 g/mol
Exact Mass358.07
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cc(C)c(Br)s2)CC1
InChIInChI=1S/C15H23BrN2OS/c1-4-17(5-2)12-6-8-18(9-7-12)15(19)13-10-11(3)14(16)20-13/h10,12H,4-9H2,1-3H3
InChIKeyCCIOPOJURCWUSK-UHFFFAOYSA-N
XLogP3.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-aminoethyl)piperidin-1-yl]-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79997411
1-[4-(5-bromo-4-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 79954864
(5-bromo-4-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 79917874
(5-bromo-4-methylthiophen-2-yl)-(4-tert-butylazepan-1-yl)methanone
CID 79987284
(5-bromo-4-methylthiophen-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 79964714
methyl 4-(5-bromo-4-methylthiophene-2-carbonyl)piperazine-1-carboxylate
CID 79964024
(5-bromo-4-methylthiophen-2-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 79987355
(5-bromo-4-methylthiophen-2-yl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 79996780
(2S)-1-(5-bromo-4-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 79982145
3-azaspiro[5.5]undecan-3-yl-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79986679
(4,5-dibromothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 78968328
(5-bromo-4-methylthiophen-2-yl)-(3,3-dimethylazetidin-1-yl)methanone
CID 130702895

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone (CID 79964467) is (5-bromo-4-methylthiophen-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone is CCN(CC)C1CCN(C(=O)c2cc(C)c(Br)s2)CC1.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone?
The InChIKey is CCIOPOJURCWUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2OS/c1-4-17(5-2)12-6-8-18(9-7-12)15(19)13-10-11(3)14(16)20-13/h10,12H,4-9H2,1-3H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone?
(5-bromo-4-methylthiophen-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone has a molecular weight of 359.33 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 79964467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).