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

C12H18N2OS — CID 119561429

IUPAC[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCNC1CCN(C(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C12H18N2OS/c1-9-3-4-11(16-9)12(15)14-7-5-10(13-2)6-8-14/h3-4,10,13H,5-8H2,1-2H3
InChIKeyGHJMDQMJLCGGLD-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.88
Rot. Bonds2

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

[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 119561429) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID119561429
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCNC1CCN(C(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C12H18N2OS/c1-9-3-4-11(16-9)12(15)14-7-5-10(13-2)6-8-14/h3-4,10,13H,5-8H2,1-2H3
InChIKeyGHJMDQMJLCGGLD-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylamino)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 119413764
(5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563118
(5-chlorothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563647
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
[4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 119563984
(4-ethylsulfonylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 99798313
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918252
N-[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49414960
5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685360
N-cyclopropyl-5-methyl-N-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 97071473
N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 39700752

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 119561429) is [4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone is CNC1CCN(C(=O)c2ccc(C)s2)CC1.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is GHJMDQMJLCGGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-3-4-11(16-9)12(15)14-7-5-10(13-2)6-8-14/h3-4,10,13H,5-8H2,1-2H3.
What are the key properties of [4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 238.36 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 119561429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).