2-[4-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide

C22H26N4O3S — CID 126953505

IUPAC2-[4-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide
SMILESNC(=O)Cn1ccc2c(OC3CCN(Cc4nc5c(s4)COCC5)CC3)cccc21
InChIInChI=1S/C22H26N4O3S/c23-21(27)12-26-10-6-16-18(26)2-1-3-19(16)29-15-4-8-25(9-5-15)13-22-24-17-7-11-28-14-20(17)30-22/h1-3,6,10,15H,4-5,7-9,11-14H2,(H2,23,27)
InChIKeyDPNCVRUXRIYVMA-UHFFFAOYSA-N
MW426.54 g/mol
LogP2.70
Rot. Bonds6

About 2-[4-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide

2-[4-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide (PubChem CID 126953505) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-[4-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide
PubChem CID126953505
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name2-[4-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide
SMILESNC(=O)Cn1ccc2c(OC3CCN(Cc4nc5c(s4)COCC5)CC3)cccc21
InChIInChI=1S/C22H26N4O3S/c23-21(27)12-26-10-6-16-18(26)2-1-3-19(16)29-15-4-8-25(9-5-15)13-22-24-17-7-11-28-14-20(17)30-22/h1-3,6,10,15H,4-5,7-9,11-14H2,(H2,23,27)
InChIKeyDPNCVRUXRIYVMA-UHFFFAOYSA-N
XLogP2.70
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[1-[(1-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953482
2-[4-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953420
2-[4-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953472
2-[4-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953524
2-[4-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953471
2-[4-[1-(2-hydroxycyclohexyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953583
2-[4-[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953459
2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953365
2-[4-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953392
2-[4-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953562
2-[4-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953538
2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953374

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide?
The IUPAC name of 2-[4-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide (CID 126953505) is 2-[4-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide?
The canonical SMILES for 2-[4-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide is NC(=O)Cn1ccc2c(OC3CCN(Cc4nc5c(s4)COCC5)CC3)cccc21.
What is the InChIKey of 2-[4-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide?
The InChIKey is DPNCVRUXRIYVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c23-21(27)12-26-10-6-16-18(26)2-1-3-19(16)29-15-4-8-25(9-5-15)13-22-24-17-7-11-28-14-20(17)30-22/h1-3,6,10,15H,4-5,7-9,11-14H2,(H2,23,27).
What are the key properties of 2-[4-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide?
2-[4-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide has a molecular weight of 426.54 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide is sourced from PubChem (CID 126953505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).