(3-aminocyclohexyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C15H23N3OS — CID 119873463

IUPAC(3-aminocyclohexyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESNC1CCCC(C(=O)N2CCCCC2c2nccs2)C1
InChIInChI=1S/C15H23N3OS/c16-12-5-3-4-11(10-12)15(19)18-8-2-1-6-13(18)14-17-7-9-20-14/h7,9,11-13H,1-6,8,10,16H2
InChIKeyHVPSRLPAWAXGDE-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.71
Rot. Bonds2

About (3-aminocyclohexyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

(3-aminocyclohexyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 119873463) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is (3-aminocyclohexyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID119873463
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name(3-aminocyclohexyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESNC1CCCC(C(=O)N2CCCCC2c2nccs2)C1
InChIInChI=1S/C15H23N3OS/c16-12-5-3-4-11(10-12)15(19)18-8-2-1-6-13(18)14-17-7-9-20-14/h7,9,11-13H,1-6,8,10,16H2
InChIKeyHVPSRLPAWAXGDE-UHFFFAOYSA-N
XLogP2.71
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
cyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 97154928
2-[3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 131942046
(4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95770198
cyclohexyl 2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
CID 58171477
(3-aminocyclohexyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 119785074
[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 124699789
[(1S,3R)-3-aminocyclopentyl]-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 125119764
(3-aminocyclohexyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 62777355
N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide
CID 95770213
2-(1-propan-2-ylpiperidin-4-yl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 97200306
2-methoxy-1-[4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 97202324

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-aminocyclohexyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 119873463) is (3-aminocyclohexyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-aminocyclohexyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-aminocyclohexyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is NC1CCCC(C(=O)N2CCCCC2c2nccs2)C1.
What is the InChIKey of (3-aminocyclohexyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is HVPSRLPAWAXGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c16-12-5-3-4-11(10-12)15(19)18-8-2-1-6-13(18)14-17-7-9-20-14/h7,9,11-13H,1-6,8,10,16H2.
What are the key properties of (3-aminocyclohexyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(3-aminocyclohexyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 293.44 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 119873463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).