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

C25H30N4O2S — CID 24790488

IUPACN-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCc1csc(C(C)N(C)C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)n1
InChIInChI=1S/C25H30N4O2S/c1-18-17-32-24(27-18)19(2)28(3)25(30)20-7-9-22(10-8-20)31-23-11-14-29(15-12-23)16-21-6-4-5-13-26-21/h4-10,13,17,19,23H,11-12,14-16H2,1-3H3
InChIKeyBRTLNMWPMYIBGH-UHFFFAOYSA-N
MW450.61 g/mol
LogP4.72
Rot. Bonds7

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

N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 24790488) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID24790488
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC NameN-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCc1csc(C(C)N(C)C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)n1
InChIInChI=1S/C25H30N4O2S/c1-18-17-32-24(27-18)19(2)28(3)25(30)20-7-9-22(10-8-20)31-23-11-14-29(15-12-23)16-21-6-4-5-13-26-21/h4-10,13,17,19,23H,11-12,14-16H2,1-3H3
InChIKeyBRTLNMWPMYIBGH-UHFFFAOYSA-N
XLogP4.72
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (CID 24790488) is N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is Cc1csc(C(C)N(C)C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)n1.
What is the InChIKey of N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is BRTLNMWPMYIBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-18-17-32-24(27-18)19(2)28(3)25(30)20-7-9-22(10-8-20)31-23-11-14-29(15-12-23)16-21-6-4-5-13-26-21/h4-10,13,17,19,23H,11-12,14-16H2,1-3H3.
What are the key properties of N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 450.61 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 24790488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).