2-[4-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide

C23H27N5O2 — CID 126953562

IUPAC2-[4-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
SMILESNC(=O)Cn1ccc2c(OC3CCN(c4ncnc5c4CCCC5)CC3)cccc21
InChIInChI=1S/C23H27N5O2/c24-22(29)14-28-13-10-18-20(28)6-3-7-21(18)30-16-8-11-27(12-9-16)23-17-4-1-2-5-19(17)25-15-26-23/h3,6-7,10,13,15-16H,1-2,4-5,8-9,11-12,14H2,(H2,24,29)
InChIKeyWPGBHCPWTYWKNW-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.84
Rot. Bonds5

About 2-[4-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide

2-[4-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide (PubChem CID 126953562) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[4-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
PubChem CID126953562
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name2-[4-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
SMILESNC(=O)Cn1ccc2c(OC3CCN(c4ncnc5c4CCCC5)CC3)cccc21
InChIInChI=1S/C23H27N5O2/c24-22(29)14-28-13-10-18-20(28)6-3-7-21(18)30-16-8-11-27(12-9-16)23-17-4-1-2-5-19(17)25-15-26-23/h3,6-7,10,13,15-16H,1-2,4-5,8-9,11-12,14H2,(H2,24,29)
InChIKeyWPGBHCPWTYWKNW-UHFFFAOYSA-N
XLogP2.84
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953392
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-6-oxopyrimidin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953596
2-[4-[1-(2-hydroxycyclohexyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953583
2-[4-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)oxyindol-1-yl]acetamide
CID 126953445
2-[4-[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953459
2-[4-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953538
2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953365
2-[4-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953420
2-[4-[1-(2-oxopiperidin-3-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953535
2-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953341
2-[4-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953471

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide?
The IUPAC name of 2-[4-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide (CID 126953562) is 2-[4-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide?
The canonical SMILES for 2-[4-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide is NC(=O)Cn1ccc2c(OC3CCN(c4ncnc5c4CCCC5)CC3)cccc21.
What is the InChIKey of 2-[4-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide?
The InChIKey is WPGBHCPWTYWKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c24-22(29)14-28-13-10-18-20(28)6-3-7-21(18)30-16-8-11-27(12-9-16)23-17-4-1-2-5-19(17)25-15-26-23/h3,6-7,10,13,15-16H,1-2,4-5,8-9,11-12,14H2,(H2,24,29).
What are the key properties of 2-[4-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide?
2-[4-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide is sourced from PubChem (CID 126953562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).