4-cyclohexyl-4-[(1,3-thiazol-2-ylamino)methyl]piperidine-1-carboxylic acid

C16H25N3O2S — CID 22185327

IUPAC4-cyclohexyl-4-[(1,3-thiazol-2-ylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CNc2nccs2)(C2CCCCC2)CC1
InChIInChI=1S/C16H25N3O2S/c20-15(21)19-9-6-16(7-10-19,13-4-2-1-3-5-13)12-18-14-17-8-11-22-14/h8,11,13H,1-7,9-10,12H2,(H,17,18)(H,20,21)
InChIKeyIVJJERJWEHUYEQ-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.90
Rot. Bonds4

About 4-cyclohexyl-4-[(1,3-thiazol-2-ylamino)methyl]piperidine-1-carboxylic acid

4-cyclohexyl-4-[(1,3-thiazol-2-ylamino)methyl]piperidine-1-carboxylic acid (PubChem CID 22185327) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 4-cyclohexyl-4-[(1,3-thiazol-2-ylamino)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-cyclohexyl-4-[(1,3-thiazol-2-ylamino)methyl]piperidine-1-carboxylic acid
PubChem CID22185327
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name4-cyclohexyl-4-[(1,3-thiazol-2-ylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CNc2nccs2)(C2CCCCC2)CC1
InChIInChI=1S/C16H25N3O2S/c20-15(21)19-9-6-16(7-10-19,13-4-2-1-3-5-13)12-18-14-17-8-11-22-14/h8,11,13H,1-7,9-10,12H2,(H,17,18)(H,20,21)
InChIKeyIVJJERJWEHUYEQ-UHFFFAOYSA-N
XLogP3.90
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]-1,3-thiazol-2-amine
CID 103970472
N-[[1-(aminomethyl)cyclopropyl]methyl]-1,3-thiazol-2-amine
CID 115457087
4-fluoro-4-(1,3-thiazol-2-yl)piperidine-1-carboxylic acid
CID 123247113
N-[(1-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
CID 107143585
2-cyclohexylsulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 2434094
1-(1,3-thiazol-2-yl)-4-[(1,3-thiazol-2-ylamino)methyl]piperidin-4-ol
CID 138023128
N-(1,3-thiazol-2-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95323473
N-[(2,2-difluorocyclopentyl)methyl]-1,3-thiazol-2-amine
CID 131091806
1-[(1,3-thiazol-2-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309764
2-[1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 119488005
N-(2-cyclohexyloxyethyl)-1,3-thiazol-2-amine
CID 61063883
1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone
CID 167481320

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4-[(1,3-thiazol-2-ylamino)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-cyclohexyl-4-[(1,3-thiazol-2-ylamino)methyl]piperidine-1-carboxylic acid (CID 22185327) is 4-cyclohexyl-4-[(1,3-thiazol-2-ylamino)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-cyclohexyl-4-[(1,3-thiazol-2-ylamino)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-cyclohexyl-4-[(1,3-thiazol-2-ylamino)methyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(CNc2nccs2)(C2CCCCC2)CC1.
What is the InChIKey of 4-cyclohexyl-4-[(1,3-thiazol-2-ylamino)methyl]piperidine-1-carboxylic acid?
The InChIKey is IVJJERJWEHUYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c20-15(21)19-9-6-16(7-10-19,13-4-2-1-3-5-13)12-18-14-17-8-11-22-14/h8,11,13H,1-7,9-10,12H2,(H,17,18)(H,20,21).
What are the key properties of 4-cyclohexyl-4-[(1,3-thiazol-2-ylamino)methyl]piperidine-1-carboxylic acid?
4-cyclohexyl-4-[(1,3-thiazol-2-ylamino)methyl]piperidine-1-carboxylic acid has a molecular weight of 323.46 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-[(1,3-thiazol-2-ylamino)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 22185327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).