4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide

C23H29N3O4 — CID 24790723

IUPAC4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide
SMILESCOc1cc(C(=O)NC(C)Cc2ccccn2)ccc1OC1CCN(C(C)=O)CC1
InChIInChI=1S/C23H29N3O4/c1-16(14-19-6-4-5-11-24-19)25-23(28)18-7-8-21(22(15-18)29-3)30-20-9-12-26(13-10-20)17(2)27/h4-8,11,15-16,20H,9-10,12-14H2,1-3H3,(H,25,28)
InChIKeyBJVKSHXJUPJAMX-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.84
Rot. Bonds7

About 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide

4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide (PubChem CID 24790723) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide
PubChem CID24790723
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide
SMILESCOc1cc(C(=O)NC(C)Cc2ccccn2)ccc1OC1CCN(C(C)=O)CC1
InChIInChI=1S/C23H29N3O4/c1-16(14-19-6-4-5-11-24-19)25-23(28)18-7-8-21(22(15-18)29-3)30-20-9-12-26(13-10-20)17(2)27/h4-8,11,15-16,20H,9-10,12-14H2,1-3H3,(H,25,28)
InChIKeyBJVKSHXJUPJAMX-UHFFFAOYSA-N
XLogP2.84
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide?
The IUPAC name of 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide (CID 24790723) is 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide.
What is the SMILES notation for 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide?
The canonical SMILES for 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide is COc1cc(C(=O)NC(C)Cc2ccccn2)ccc1OC1CCN(C(C)=O)CC1.
What is the InChIKey of 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide?
The InChIKey is BJVKSHXJUPJAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-16(14-19-6-4-5-11-24-19)25-23(28)18-7-8-21(22(15-18)29-3)30-20-9-12-26(13-10-20)17(2)27/h4-8,11,15-16,20H,9-10,12-14H2,1-3H3,(H,25,28).
What are the key properties of 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide?
4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide has a molecular weight of 411.50 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide is sourced from PubChem (CID 24790723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).