2-[4-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide

C23H29N5O2 — CID 126953524

IUPAC2-[4-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide
SMILESNC(=O)Cn1ccc2c(OC3CCN(Cc4n[nH]c5c4CCCC5)CC3)cccc21
InChIInChI=1S/C23H29N5O2/c24-23(29)15-28-13-10-18-21(28)6-3-7-22(18)30-16-8-11-27(12-9-16)14-20-17-4-1-2-5-19(17)25-26-20/h3,6-7,10,13,16H,1-2,4-5,8-9,11-12,14-15H2,(H2,24,29)(H,25,26)
InChIKeyJIGUKZLOSOCKPR-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.77
Rot. Bonds6

About 2-[4-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide

2-[4-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide (PubChem CID 126953524) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-[4-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide
PubChem CID126953524
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name2-[4-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide
SMILESNC(=O)Cn1ccc2c(OC3CCN(Cc4n[nH]c5c4CCCC5)CC3)cccc21
InChIInChI=1S/C23H29N5O2/c24-23(29)15-28-13-10-18-21(28)6-3-7-22(18)30-16-8-11-27(12-9-16)14-20-17-4-1-2-5-19(17)25-26-20/h3,6-7,10,13,16H,1-2,4-5,8-9,11-12,14-15H2,(H2,24,29)(H,25,26)
InChIKeyJIGUKZLOSOCKPR-UHFFFAOYSA-N
XLogP2.77
TPSA89.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953420
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-oxopyrimidin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953482
2-[4-[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953459
2-[4-[1-(2-hydroxycyclohexyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953583
2-[4-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953472
2-[4-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953471
2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953365
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
2-[4-[1-(2-oxopiperidin-3-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953535
2-[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953379
2-[4-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953392

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide?
The IUPAC name of 2-[4-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide (CID 126953524) is 2-[4-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide?
The canonical SMILES for 2-[4-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide is NC(=O)Cn1ccc2c(OC3CCN(Cc4n[nH]c5c4CCCC5)CC3)cccc21.
What is the InChIKey of 2-[4-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide?
The InChIKey is JIGUKZLOSOCKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c24-23(29)15-28-13-10-18-21(28)6-3-7-22(18)30-16-8-11-27(12-9-16)14-20-17-4-1-2-5-19(17)25-26-20/h3,6-7,10,13,16H,1-2,4-5,8-9,11-12,14-15H2,(H2,24,29)(H,25,26).
What are the key properties of 2-[4-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide?
2-[4-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide has a molecular weight of 407.52 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide is sourced from PubChem (CID 126953524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).