2-(1-adamantyl)-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide

C26H36N2O2 — CID 9414279

IUPAC2-(1-adamantyl)-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H36N2O2/c29-24(17-26-14-21-11-22(15-26)13-23(12-21)16-26)27-18-25(30)28-8-6-20(7-9-28)10-19-4-2-1-3-5-19/h1-5,20-23H,6-18H2,(H,27,29)
InChIKeyQZDGTFNTXVLBQQ-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.19
Rot. Bonds6

About 2-(1-adamantyl)-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide

2-(1-adamantyl)-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide (PubChem CID 9414279) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide
PubChem CID9414279
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name2-(1-adamantyl)-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H36N2O2/c29-24(17-26-14-21-11-22(15-26)13-23(12-21)16-26)27-18-25(30)28-8-6-20(7-9-28)10-19-4-2-1-3-5-19/h1-5,20-23H,6-18H2,(H,27,29)
InChIKeyQZDGTFNTXVLBQQ-UHFFFAOYSA-N
XLogP4.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide (CID 9414279) is 2-(1-adamantyl)-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is QZDGTFNTXVLBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c29-24(17-26-14-21-11-22(15-26)13-23(12-21)16-26)27-18-25(30)28-8-6-20(7-9-28)10-19-4-2-1-3-5-19/h1-5,20-23H,6-18H2,(H,27,29).
What are the key properties of 2-(1-adamantyl)-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide?
2-(1-adamantyl)-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 408.59 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 9414279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).