(5-bromothiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone

C15H23BrN2OS — CID 61075607

IUPAC(5-bromothiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SMILESCC(C)N(C)CC1CCN(C(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C15H23BrN2OS/c1-11(2)17(3)10-12-6-8-18(9-7-12)15(19)13-4-5-14(16)20-13/h4-5,11-12H,6-10H2,1-3H3
InChIKeyWVQMXNXEJZWVTH-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.70
Rot. Bonds4

About (5-bromothiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone

(5-bromothiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone (PubChem CID 61075607) has the molecular formula C15H23BrN2OS and a molecular weight of 359.33 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
PubChem CID61075607
Molecular FormulaC15H23BrN2OS
Molecular Weight359.33 g/mol
Exact Mass358.07
IUPAC Name(5-bromothiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SMILESCC(C)N(C)CC1CCN(C(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C15H23BrN2OS/c1-11(2)17(3)10-12-6-8-18(9-7-12)15(19)13-4-5-14(16)20-13/h4-5,11-12H,6-10H2,1-3H3
InChIKeyWVQMXNXEJZWVTH-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-bromothiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-bromophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 60954454
(4-amino-5-methylthiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 61115746
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 106839488
(2-aminophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 60959683
[4-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone;hydrochloride
CID 119520055
(5-bromothiophen-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60776103
(2-iodophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 61245242
(5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563118
(4,5-dibromothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 78968328
(5-bromothiophen-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62778193
(5-amino-2-pyridinyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 81310117
[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone
CID 138993124

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (5-bromothiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone (CID 61075607) is (5-bromothiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone is CC(C)N(C)CC1CCN(C(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of (5-bromothiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone?
The InChIKey is WVQMXNXEJZWVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2OS/c1-11(2)17(3)10-12-6-8-18(9-7-12)15(19)13-4-5-14(16)20-13/h4-5,11-12H,6-10H2,1-3H3.
What are the key properties of (5-bromothiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone?
(5-bromothiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone has a molecular weight of 359.33 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 61075607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).