cyclohexyl-[4-hydroxy-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone

C23H32N4O2S — CID 100627782

IUPACcyclohexyl-[4-hydroxy-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone
SMILESCN(Cc1cccnc1)Cc1nc(C2(O)CCN(C(=O)C3CCCCC3)CC2)cs1
InChIInChI=1S/C23H32N4O2S/c1-26(15-18-6-5-11-24-14-18)16-21-25-20(17-30-21)23(29)9-12-27(13-10-23)22(28)19-7-3-2-4-8-19/h5-6,11,14,17,19,29H,2-4,7-10,12-13,15-16H2,1H3
InChIKeyHVQJNSXESRNMLA-UHFFFAOYSA-N
MW428.60 g/mol
LogP3.56
Rot. Bonds6

About cyclohexyl-[4-hydroxy-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone

cyclohexyl-[4-hydroxy-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone (PubChem CID 100627782) has the molecular formula C23H32N4O2S and a molecular weight of 428.60 g/mol. Its IUPAC name is cyclohexyl-[4-hydroxy-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-hydroxy-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone
PubChem CID100627782
Molecular FormulaC23H32N4O2S
Molecular Weight428.60 g/mol
Exact Mass428.22
IUPAC Namecyclohexyl-[4-hydroxy-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone
SMILESCN(Cc1cccnc1)Cc1nc(C2(O)CCN(C(=O)C3CCCCC3)CC2)cs1
InChIInChI=1S/C23H32N4O2S/c1-26(15-18-6-5-11-24-14-18)16-21-25-20(17-30-21)23(29)9-12-27(13-10-23)22(28)19-7-3-2-4-8-19/h5-6,11,14,17,19,29H,2-4,7-10,12-13,15-16H2,1H3
InChIKeyHVQJNSXESRNMLA-UHFFFAOYSA-N
XLogP3.56
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cyclohexyl-[4-hydroxy-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

1-(cyclopropylmethyl)-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-4-ol
CID 100647658
cyclobutyl-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 95833425
cyclohexyl-[4-[oxan-4-yl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methanone
CID 91916226
cyclohexyl-[(3R)-3-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 125009836
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 110156983
cyclopropyl-[4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone
CID 162918157
1'-(cyclohexanecarbonyl)-2-(pyridin-3-ylmethyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one
CID 131685769
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 43664653
2-[methyl(pyridin-3-ylmethyl)amino]-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 125015209
1-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]cycloheptane-1-carboxylic acid
CID 136552707
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113120425
(4,4-difluoropiperidin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone
CID 155975853

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-hydroxy-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-hydroxy-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone (CID 100627782) is cyclohexyl-[4-hydroxy-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-hydroxy-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-hydroxy-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone is CN(Cc1cccnc1)Cc1nc(C2(O)CCN(C(=O)C3CCCCC3)CC2)cs1.
What is the InChIKey of cyclohexyl-[4-hydroxy-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone?
The InChIKey is HVQJNSXESRNMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2S/c1-26(15-18-6-5-11-24-14-18)16-21-25-20(17-30-21)23(29)9-12-27(13-10-23)22(28)19-7-3-2-4-8-19/h5-6,11,14,17,19,29H,2-4,7-10,12-13,15-16H2,1H3.
What are the key properties of cyclohexyl-[4-hydroxy-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone?
cyclohexyl-[4-hydroxy-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone has a molecular weight of 428.60 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-hydroxy-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 100627782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).