1-[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]hexan-1-one

C24H35N5O2S — CID 100648176

IUPAC1-[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCC(O)(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC1
InChIInChI=1S/C24H35N5O2S/c1-2-3-4-8-23(30)29-12-9-24(31,10-13-29)20-19-32-22(26-20)18-27-14-16-28(17-15-27)21-7-5-6-11-25-21/h5-7,11,19,31H,2-4,8-10,12-18H2,1H3
InChIKeyCZHDECLFKUAWSQ-UHFFFAOYSA-N
MW457.64 g/mol
LogP3.25
Rot. Bonds8

About 1-[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]hexan-1-one

1-[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]hexan-1-one (PubChem CID 100648176) has the molecular formula C24H35N5O2S and a molecular weight of 457.64 g/mol. Its IUPAC name is 1-[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name1-[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]hexan-1-one
PubChem CID100648176
Molecular FormulaC24H35N5O2S
Molecular Weight457.64 g/mol
Exact Mass457.25
IUPAC Name1-[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCC(O)(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC1
InChIInChI=1S/C24H35N5O2S/c1-2-3-4-8-23(30)29-12-9-24(31,10-13-29)20-19-32-22(26-20)18-27-14-16-28(17-15-27)21-7-5-6-11-25-21/h5-7,11,19,31H,2-4,8-10,12-18H2,1H3
InChIKeyCZHDECLFKUAWSQ-UHFFFAOYSA-N
XLogP3.25
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.64
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 100628365
[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 100628343
3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030233
N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-N-pentylmethanesulfonamide
CID 113141293
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110332738
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
N-(4-fluorophenyl)-4-hydroxy-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidine-1-carboxamide
CID 100646138
N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propane-1-sulfonamide
CID 51100868
N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108941420
1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109014349

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]hexan-1-one?
The IUPAC name of 1-[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]hexan-1-one (CID 100648176) is 1-[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]hexan-1-one.
What is the SMILES notation for 1-[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]hexan-1-one?
The canonical SMILES for 1-[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]hexan-1-one is CCCCCC(=O)N1CCC(O)(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC1.
What is the InChIKey of 1-[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]hexan-1-one?
The InChIKey is CZHDECLFKUAWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2S/c1-2-3-4-8-23(30)29-12-9-24(31,10-13-29)20-19-32-22(26-20)18-27-14-16-28(17-15-27)21-7-5-6-11-25-21/h5-7,11,19,31H,2-4,8-10,12-18H2,1H3.
What are the key properties of 1-[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]hexan-1-one?
1-[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]hexan-1-one has a molecular weight of 457.64 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]hexan-1-one is sourced from PubChem (CID 100648176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).