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

C22H24N4O2S — CID 25287931

IUPACN-(pyridin-4-ylmethyl)-4-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NCc1ccncc1)c1ccc(OC2CCN(Cc3nccs3)CC2)cc1
InChIInChI=1S/C22H24N4O2S/c27-22(25-15-17-5-9-23-10-6-17)18-1-3-19(4-2-18)28-20-7-12-26(13-8-20)16-21-24-11-14-29-21/h1-6,9-11,14,20H,7-8,12-13,15-16H2,(H,25,27)
InChIKeyVJDZQYFWDMQPFI-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.51
Rot. Bonds7

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

N-(pyridin-4-ylmethyl)-4-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 25287931) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-4-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-4-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID25287931
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-(pyridin-4-ylmethyl)-4-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NCc1ccncc1)c1ccc(OC2CCN(Cc3nccs3)CC2)cc1
InChIInChI=1S/C22H24N4O2S/c27-22(25-15-17-5-9-23-10-6-17)18-1-3-19(4-2-18)28-20-7-12-26(13-8-20)16-21-24-11-14-29-21/h1-6,9-11,14,20H,7-8,12-13,15-16H2,(H,25,27)
InChIKeyVJDZQYFWDMQPFI-UHFFFAOYSA-N
XLogP3.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 2874292
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CID 3234016
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CID 44334035
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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-4-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-4-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxybenzamide (CID 25287931) is N-(pyridin-4-ylmethyl)-4-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-4-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-4-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxybenzamide is O=C(NCc1ccncc1)c1ccc(OC2CCN(Cc3nccs3)CC2)cc1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-4-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is VJDZQYFWDMQPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c27-22(25-15-17-5-9-23-10-6-17)18-1-3-19(4-2-18)28-20-7-12-26(13-8-20)16-21-24-11-14-29-21/h1-6,9-11,14,20H,7-8,12-13,15-16H2,(H,25,27).
What are the key properties of N-(pyridin-4-ylmethyl)-4-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxybenzamide?
N-(pyridin-4-ylmethyl)-4-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 408.53 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-4-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 25287931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).