4-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methoxybenzamide

C24H28N4O4 — CID 42289014

IUPAC4-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCc2cn3ccccc3n2)ccc1OC1CCN(C(C)=O)CC1
InChIInChI=1S/C24H28N4O4/c1-17(29)27-13-9-20(10-14-27)32-21-7-6-18(15-22(21)31-2)24(30)25-11-8-19-16-28-12-4-3-5-23(28)26-19/h3-7,12,15-16,20H,8-11,13-14H2,1-2H3,(H,25,30)
InChIKeyUGGAHVMGBXITTC-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.71
Rot. Bonds7

About 4-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methoxybenzamide

4-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methoxybenzamide (PubChem CID 42289014) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 4-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methoxybenzamide
PubChem CID42289014
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name4-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCc2cn3ccccc3n2)ccc1OC1CCN(C(C)=O)CC1
InChIInChI=1S/C24H28N4O4/c1-17(29)27-13-9-20(10-14-27)32-21-7-6-18(15-22(21)31-2)24(30)25-11-8-19-16-28-12-4-3-5-23(28)26-19/h3-7,12,15-16,20H,8-11,13-14H2,1-2H3,(H,25,30)
InChIKeyUGGAHVMGBXITTC-UHFFFAOYSA-N
XLogP2.71
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methoxybenzamide?
The IUPAC name of 4-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methoxybenzamide (CID 42289014) is 4-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methoxybenzamide.
What is the SMILES notation for 4-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methoxybenzamide?
The canonical SMILES for 4-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methoxybenzamide is COc1cc(C(=O)NCCc2cn3ccccc3n2)ccc1OC1CCN(C(C)=O)CC1.
What is the InChIKey of 4-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methoxybenzamide?
The InChIKey is UGGAHVMGBXITTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-17(29)27-13-9-20(10-14-27)32-21-7-6-18(15-22(21)31-2)24(30)25-11-8-19-16-28-12-4-3-5-23(28)26-19/h3-7,12,15-16,20H,8-11,13-14H2,1-2H3,(H,25,30).
What are the key properties of 4-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methoxybenzamide?
4-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methoxybenzamide has a molecular weight of 436.51 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methoxybenzamide is sourced from PubChem (CID 42289014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).