[1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

C17H28N4O3S — CID 89487588

IUPAC[1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3ncc(CO)s3)CC2)CC1
InChIInChI=1S/C17H28N4O3S/c1-13(2)19-7-9-21(10-8-19)17(23)24-14-3-5-20(6-4-14)16-18-11-15(12-22)25-16/h11,13-14,22H,3-10,12H2,1-2H3
InChIKeyZFKNBJFIBYHAKV-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.77
Rot. Bonds4

About [1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

[1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 89487588) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is [1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID89487588
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name[1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3ncc(CO)s3)CC2)CC1
InChIInChI=1S/C17H28N4O3S/c1-13(2)19-7-9-21(10-8-19)17(23)24-14-3-5-20(6-4-14)16-18-11-15(12-22)25-16/h11,13-14,22H,3-10,12H2,1-2H3
InChIKeyZFKNBJFIBYHAKV-UHFFFAOYSA-N
XLogP1.77
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate with MolForge

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Related Compounds

Methyl 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 71522824
Methyl 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 71522825
[1-(5-Methyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487910
4-[5-(Hydroxymethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
CID 21100279
4-(5-Hydroxymethyl-thiazol-2-yl)-piperazine-1-carboxylic acid tert-butyl ester
CID 67549813
2-[4-(4-Cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 126504380
2-[4-(4-Propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 126504607
[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate
CID 142744483
tert-butyl N-(cyclobutylmethyl)-N-[1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-3-yl]carbamate
CID 172106981
ethyl 4-[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 28133916
ethyl 4-[(3S)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 28133918
ethyl 4-[(3R)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 28957587

Frequently Asked Questions

What is the IUPAC name of [1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 89487588) is [1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is CC(C)N1CCN(C(=O)OC2CCN(c3ncc(CO)s3)CC2)CC1.
What is the InChIKey of [1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is ZFKNBJFIBYHAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-13(2)19-7-9-21(10-8-19)17(23)24-14-3-5-20(6-4-14)16-18-11-15(12-22)25-16/h11,13-14,22H,3-10,12H2,1-2H3.
What are the key properties of [1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 368.50 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 89487588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).