(5-bromothiophen-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

C12H17BrN2OS — CID 61206369

IUPAC(5-bromothiophen-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C12H17BrN2OS/c1-14-7-9-3-2-6-15(8-9)12(16)10-4-5-11(13)17-10/h4-5,9,14H,2-3,6-8H2,1H3
InChIKeyKAFRLCSBLWKPFW-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.58
Rot. Bonds3

About (5-bromothiophen-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

(5-bromothiophen-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 61206369) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID61206369
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name(5-bromothiophen-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C12H17BrN2OS/c1-14-7-9-3-2-6-15(8-9)12(16)10-4-5-11(13)17-10/h4-5,9,14H,2-3,6-8H2,1H3
InChIKeyKAFRLCSBLWKPFW-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-bromothiophen-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[3-(methylaminomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 80746000
(5-ethylthiophen-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 95381708
(5-chlorothiophen-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119542062
5-[3-[(2-methylpropanoylamino)methyl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183250
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 63263775
5-[3-[(butanoylamino)methyl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183261
[3-(methylaminomethyl)piperidin-1-yl]-[1-(5-nitrothiophene-2-carbonyl)pyrrolidin-2-yl]methanone;hydrochloride
CID 119395700
3-(methylaminomethyl)piperidine-1-carboxamide
CID 61204552
(2,5-dibromothiophen-3-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113265618
1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one
CID 119397428

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-bromothiophen-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (CID 61206369) is (5-bromothiophen-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCN(C(=O)c2ccc(Br)s2)C1.
What is the InChIKey of (5-bromothiophen-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is KAFRLCSBLWKPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-14-7-9-3-2-6-15(8-9)12(16)10-4-5-11(13)17-10/h4-5,9,14H,2-3,6-8H2,1H3.
What are the key properties of (5-bromothiophen-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
(5-bromothiophen-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 317.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 61206369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).