2-(4-methoxyphenyl)-2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propan-1-one

C20H31NO3 — CID 75383198

IUPAC2-(4-methoxyphenyl)-2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propan-1-one
SMILESCOc1ccc(C(C)(C)C(=O)N2CCC(OC(C)(C)C)CC2)cc1
InChIInChI=1S/C20H31NO3/c1-19(2,3)24-17-11-13-21(14-12-17)18(22)20(4,5)15-7-9-16(23-6)10-8-15/h7-10,17H,11-14H2,1-6H3
InChIKeyRCNWYVBDZUMZPQ-UHFFFAOYSA-N
MW333.47 g/mol
LogP3.78
Rot. Bonds4

About 2-(4-methoxyphenyl)-2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propan-1-one

2-(4-methoxyphenyl)-2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propan-1-one (PubChem CID 75383198) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propan-1-one
PubChem CID75383198
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name2-(4-methoxyphenyl)-2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propan-1-one
SMILESCOc1ccc(C(C)(C)C(=O)N2CCC(OC(C)(C)C)CC2)cc1
InChIInChI=1S/C20H31NO3/c1-19(2,3)24-17-11-13-21(14-12-17)18(22)20(4,5)15-7-9-16(23-6)10-8-15/h7-10,17H,11-14H2,1-6H3
InChIKeyRCNWYVBDZUMZPQ-UHFFFAOYSA-N
XLogP3.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-(4-methoxyphenyl)-2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propan-1-one (CID 75383198) is 2-(4-methoxyphenyl)-2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-methoxyphenyl)-2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propan-1-one is COc1ccc(C(C)(C)C(=O)N2CCC(OC(C)(C)C)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propan-1-one?
The InChIKey is RCNWYVBDZUMZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-19(2,3)24-17-11-13-21(14-12-17)18(22)20(4,5)15-7-9-16(23-6)10-8-15/h7-10,17H,11-14H2,1-6H3.
What are the key properties of 2-(4-methoxyphenyl)-2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propan-1-one?
2-(4-methoxyphenyl)-2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propan-1-one has a molecular weight of 333.47 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 75383198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).