(3-methylpiperidin-3-yl)-(5-methylthiophen-3-yl)methanone

C12H17NOS — CID 116569577

IUPAC(3-methylpiperidin-3-yl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)C2(C)CCCNC2)cs1
InChIInChI=1S/C12H17NOS/c1-9-6-10(7-15-9)11(14)12(2)4-3-5-13-8-12/h6-7,13H,3-5,8H2,1-2H3
InChIKeyAHNXGABRIQICIP-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.63
Rot. Bonds2

About (3-methylpiperidin-3-yl)-(5-methylthiophen-3-yl)methanone

(3-methylpiperidin-3-yl)-(5-methylthiophen-3-yl)methanone (PubChem CID 116569577) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is (3-methylpiperidin-3-yl)-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-3-yl)-(5-methylthiophen-3-yl)methanone
PubChem CID116569577
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name(3-methylpiperidin-3-yl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)C2(C)CCCNC2)cs1
InChIInChI=1S/C12H17NOS/c1-9-6-10(7-15-9)11(14)12(2)4-3-5-13-8-12/h6-7,13H,3-5,8H2,1-2H3
InChIKeyAHNXGABRIQICIP-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569340
(1-aminocyclopentyl)-(5-methylthiophen-3-yl)methanone
CID 116558927
[1-(dimethylamino)cyclopentyl]-(5-methylthiophen-3-yl)methanone
CID 79067454
[1-(dimethylamino)cycloheptyl]-(5-methylthiophen-3-yl)methanone
CID 79074712
(4-ethylphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569568
(3-ethoxyphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569556
3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 55165281
(4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116570075
(2,5-dimethoxyphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569471
N-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide
CID 104727176
(4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569947
3-methyl-N-(3-methyl-1,2-oxazol-5-yl)piperidine-3-carboxamide
CID 63132333

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-3-yl)-(5-methylthiophen-3-yl)methanone?
The IUPAC name of (3-methylpiperidin-3-yl)-(5-methylthiophen-3-yl)methanone (CID 116569577) is (3-methylpiperidin-3-yl)-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for (3-methylpiperidin-3-yl)-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for (3-methylpiperidin-3-yl)-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)C2(C)CCCNC2)cs1.
What is the InChIKey of (3-methylpiperidin-3-yl)-(5-methylthiophen-3-yl)methanone?
The InChIKey is AHNXGABRIQICIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9-6-10(7-15-9)11(14)12(2)4-3-5-13-8-12/h6-7,13H,3-5,8H2,1-2H3.
What are the key properties of (3-methylpiperidin-3-yl)-(5-methylthiophen-3-yl)methanone?
(3-methylpiperidin-3-yl)-(5-methylthiophen-3-yl)methanone has a molecular weight of 223.34 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-3-yl)-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 116569577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).