[4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone

C11H17N3OS — CID 119563984

IUPAC[4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
SMILESCNC1CCN(C(=O)c2cnc(C)s2)CC1
InChIInChI=1S/C11H17N3OS/c1-8-13-7-10(16-8)11(15)14-5-3-9(12-2)4-6-14/h7,9,12H,3-6H2,1-2H3
InChIKeyMBMGHTPAAOXZDN-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.28
Rot. Bonds2

About [4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone

[4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 119563984) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
PubChem CID119563984
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name[4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
SMILESCNC1CCN(C(=O)c2cnc(C)s2)CC1
InChIInChI=1S/C11H17N3OS/c1-8-13-7-10(16-8)11(15)14-5-3-9(12-2)4-6-14/h7,9,12H,3-6H2,1-2H3
InChIKeyMBMGHTPAAOXZDN-UHFFFAOYSA-N
XLogP1.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103807435
(3-methylpyrrolidin-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 170767853
(4-hydroxy-3-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 104956593
[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 119561429
[4-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119562862
[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 95278919
[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 70770204
(5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563118
[(3S)-3-methylpiperazin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 102612004
[(3R)-3-methylpiperazin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 105056306
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103807648
7-[1-(2-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 164921764

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone (CID 119563984) is [4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone is CNC1CCN(C(=O)c2cnc(C)s2)CC1.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is MBMGHTPAAOXZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-13-7-10(16-8)11(15)14-5-3-9(12-2)4-6-14/h7,9,12H,3-6H2,1-2H3.
What are the key properties of [4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
[4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 239.34 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 119563984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).