2-(1-acetylpiperidin-4-yl)-1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)ethanone

C21H38N2O2 — CID 20794443

IUPAC2-(1-acetylpiperidin-4-yl)-1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(CC(=O)N2CCC(C(C)C)CC2C(C)(C)C)CC1
InChIInChI=1S/C21H38N2O2/c1-15(2)18-9-12-23(19(14-18)21(4,5)6)20(25)13-17-7-10-22(11-8-17)16(3)24/h15,17-19H,7-14H2,1-6H3
InChIKeyJOSOHCGBLJOUNS-UHFFFAOYSA-N
MW350.55 g/mol
LogP3.94
Rot. Bonds3

About 2-(1-acetylpiperidin-4-yl)-1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)ethanone

2-(1-acetylpiperidin-4-yl)-1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)ethanone (PubChem CID 20794443) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)-1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)ethanone
PubChem CID20794443
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Name2-(1-acetylpiperidin-4-yl)-1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(CC(=O)N2CCC(C(C)C)CC2C(C)(C)C)CC1
InChIInChI=1S/C21H38N2O2/c1-15(2)18-9-12-23(19(14-18)21(4,5)6)20(25)13-17-7-10-22(11-8-17)16(3)24/h15,17-19H,7-14H2,1-6H3
InChIKeyJOSOHCGBLJOUNS-UHFFFAOYSA-N
XLogP3.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)-1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)-1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)ethanone (CID 20794443) is 2-(1-acetylpiperidin-4-yl)-1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)ethanone is CC(=O)N1CCC(CC(=O)N2CCC(C(C)C)CC2C(C)(C)C)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)ethanone?
The InChIKey is JOSOHCGBLJOUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O2/c1-15(2)18-9-12-23(19(14-18)21(4,5)6)20(25)13-17-7-10-22(11-8-17)16(3)24/h15,17-19H,7-14H2,1-6H3.
What are the key properties of 2-(1-acetylpiperidin-4-yl)-1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)ethanone?
2-(1-acetylpiperidin-4-yl)-1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)ethanone has a molecular weight of 350.55 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)-1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 20794443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).