N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

C25H30N4O2S — CID 24791294

IUPACN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCC(C)c1nc(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)cs1
InChIInChI=1S/C25H30N4O2S/c1-18(2)25-28-21(17-32-25)15-27-24(30)19-6-8-22(9-7-19)31-23-10-13-29(14-11-23)16-20-5-3-4-12-26-20/h3-9,12,17-18,23H,10-11,13-16H2,1-2H3,(H,27,30)
InChIKeyNZXAGABNYADSEV-UHFFFAOYSA-N
MW450.61 g/mol
LogP4.63
Rot. Bonds8

About N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 24791294) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID24791294
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC NameN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCC(C)c1nc(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)cs1
InChIInChI=1S/C25H30N4O2S/c1-18(2)25-28-21(17-32-25)15-27-24(30)19-6-8-22(9-7-19)31-23-10-13-29(14-11-23)16-20-5-3-4-12-26-20/h3-9,12,17-18,23H,10-11,13-16H2,1-2H3,(H,27,30)
InChIKeyNZXAGABNYADSEV-UHFFFAOYSA-N
XLogP4.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (CID 24791294) is N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is CC(C)c1nc(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)cs1.
What is the InChIKey of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is NZXAGABNYADSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-18(2)25-28-21(17-32-25)15-27-24(30)19-6-8-22(9-7-19)31-23-10-13-29(14-11-23)16-20-5-3-4-12-26-20/h3-9,12,17-18,23H,10-11,13-16H2,1-2H3,(H,27,30).
What are the key properties of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 450.61 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 24791294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).