4-(1-acetylpiperidin-4-yl)oxy-N-[(5-ethyl-2-pyridinyl)methyl]-3-methoxybenzamide

C23H29N3O4 — CID 24793296

IUPAC4-(1-acetylpiperidin-4-yl)oxy-N-[(5-ethyl-2-pyridinyl)methyl]-3-methoxybenzamide
SMILESCCc1ccc(CNC(=O)c2ccc(OC3CCN(C(C)=O)CC3)c(OC)c2)nc1
InChIInChI=1S/C23H29N3O4/c1-4-17-5-7-19(24-14-17)15-25-23(28)18-6-8-21(22(13-18)29-3)30-20-9-11-26(12-10-20)16(2)27/h5-8,13-14,20H,4,9-12,15H2,1-3H3,(H,25,28)
InChIKeyMZIYWGJQVHFJLO-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.97
Rot. Bonds7

About 4-(1-acetylpiperidin-4-yl)oxy-N-[(5-ethyl-2-pyridinyl)methyl]-3-methoxybenzamide

4-(1-acetylpiperidin-4-yl)oxy-N-[(5-ethyl-2-pyridinyl)methyl]-3-methoxybenzamide (PubChem CID 24793296) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 4-(1-acetylpiperidin-4-yl)oxy-N-[(5-ethyl-2-pyridinyl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(1-acetylpiperidin-4-yl)oxy-N-[(5-ethyl-2-pyridinyl)methyl]-3-methoxybenzamide
PubChem CID24793296
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name4-(1-acetylpiperidin-4-yl)oxy-N-[(5-ethyl-2-pyridinyl)methyl]-3-methoxybenzamide
SMILESCCc1ccc(CNC(=O)c2ccc(OC3CCN(C(C)=O)CC3)c(OC)c2)nc1
InChIInChI=1S/C23H29N3O4/c1-4-17-5-7-19(24-14-17)15-25-23(28)18-6-8-21(22(13-18)29-3)30-20-9-11-26(12-10-20)16(2)27/h5-8,13-14,20H,4,9-12,15H2,1-3H3,(H,25,28)
InChIKeyMZIYWGJQVHFJLO-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
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-N-[(5-ethyl-2-pyridinyl)methyl]-3-methoxybenzamide?
The IUPAC name of 4-(1-acetylpiperidin-4-yl)oxy-N-[(5-ethyl-2-pyridinyl)methyl]-3-methoxybenzamide (CID 24793296) is 4-(1-acetylpiperidin-4-yl)oxy-N-[(5-ethyl-2-pyridinyl)methyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(1-acetylpiperidin-4-yl)oxy-N-[(5-ethyl-2-pyridinyl)methyl]-3-methoxybenzamide?
The canonical SMILES for 4-(1-acetylpiperidin-4-yl)oxy-N-[(5-ethyl-2-pyridinyl)methyl]-3-methoxybenzamide is CCc1ccc(CNC(=O)c2ccc(OC3CCN(C(C)=O)CC3)c(OC)c2)nc1.
What is the InChIKey of 4-(1-acetylpiperidin-4-yl)oxy-N-[(5-ethyl-2-pyridinyl)methyl]-3-methoxybenzamide?
The InChIKey is MZIYWGJQVHFJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-4-17-5-7-19(24-14-17)15-25-23(28)18-6-8-21(22(13-18)29-3)30-20-9-11-26(12-10-20)16(2)27/h5-8,13-14,20H,4,9-12,15H2,1-3H3,(H,25,28).
What are the key properties of 4-(1-acetylpiperidin-4-yl)oxy-N-[(5-ethyl-2-pyridinyl)methyl]-3-methoxybenzamide?
4-(1-acetylpiperidin-4-yl)oxy-N-[(5-ethyl-2-pyridinyl)methyl]-3-methoxybenzamide has a molecular weight of 411.50 g/mol, XLogP of 2.97, 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-N-[(5-ethyl-2-pyridinyl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 24793296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).