2-(1-acetylpiperidin-4-yl)oxy-5-methoxy-N-methyl-N-(quinoxalin-6-ylmethyl)benzamide

C25H28N4O4 — CID 25279750

IUPAC2-(1-acetylpiperidin-4-yl)oxy-5-methoxy-N-methyl-N-(quinoxalin-6-ylmethyl)benzamide
SMILESCOc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N(C)Cc2ccc3nccnc3c2)c1
InChIInChI=1S/C25H28N4O4/c1-17(30)29-12-8-19(9-13-29)33-24-7-5-20(32-3)15-21(24)25(31)28(2)16-18-4-6-22-23(14-18)27-11-10-26-22/h4-7,10-11,14-15,19H,8-9,12-13,16H2,1-3H3
InChIKeyJNIVQKFJWHSNNN-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.30
Rot. Bonds6

About 2-(1-acetylpiperidin-4-yl)oxy-5-methoxy-N-methyl-N-(quinoxalin-6-ylmethyl)benzamide

2-(1-acetylpiperidin-4-yl)oxy-5-methoxy-N-methyl-N-(quinoxalin-6-ylmethyl)benzamide (PubChem CID 25279750) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)oxy-5-methoxy-N-methyl-N-(quinoxalin-6-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)oxy-5-methoxy-N-methyl-N-(quinoxalin-6-ylmethyl)benzamide
PubChem CID25279750
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name2-(1-acetylpiperidin-4-yl)oxy-5-methoxy-N-methyl-N-(quinoxalin-6-ylmethyl)benzamide
SMILESCOc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N(C)Cc2ccc3nccnc3c2)c1
InChIInChI=1S/C25H28N4O4/c1-17(30)29-12-8-19(9-13-29)33-24-7-5-20(32-3)15-21(24)25(31)28(2)16-18-4-6-22-23(14-18)27-11-10-26-22/h4-7,10-11,14-15,19H,8-9,12-13,16H2,1-3H3
InChIKeyJNIVQKFJWHSNNN-UHFFFAOYSA-N
XLogP3.30
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)oxy-5-methoxy-N-methyl-N-(quinoxalin-6-ylmethyl)benzamide?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)oxy-5-methoxy-N-methyl-N-(quinoxalin-6-ylmethyl)benzamide (CID 25279750) is 2-(1-acetylpiperidin-4-yl)oxy-5-methoxy-N-methyl-N-(quinoxalin-6-ylmethyl)benzamide.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)oxy-5-methoxy-N-methyl-N-(quinoxalin-6-ylmethyl)benzamide?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)oxy-5-methoxy-N-methyl-N-(quinoxalin-6-ylmethyl)benzamide is COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N(C)Cc2ccc3nccnc3c2)c1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)oxy-5-methoxy-N-methyl-N-(quinoxalin-6-ylmethyl)benzamide?
The InChIKey is JNIVQKFJWHSNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-17(30)29-12-8-19(9-13-29)33-24-7-5-20(32-3)15-21(24)25(31)28(2)16-18-4-6-22-23(14-18)27-11-10-26-22/h4-7,10-11,14-15,19H,8-9,12-13,16H2,1-3H3.
What are the key properties of 2-(1-acetylpiperidin-4-yl)oxy-5-methoxy-N-methyl-N-(quinoxalin-6-ylmethyl)benzamide?
2-(1-acetylpiperidin-4-yl)oxy-5-methoxy-N-methyl-N-(quinoxalin-6-ylmethyl)benzamide has a molecular weight of 448.52 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)oxy-5-methoxy-N-methyl-N-(quinoxalin-6-ylmethyl)benzamide is sourced from PubChem (CID 25279750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).