2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-propan-2-ylacetamide

C17H26N2O3 — CID 3228808

IUPAC2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc(C2(O)CCN(CC(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C17H26N2O3/c1-13(2)18-16(20)12-19-10-8-17(21,9-11-19)14-4-6-15(22-3)7-5-14/h4-7,13,21H,8-12H2,1-3H3,(H,18,20)
InChIKeyMZKFXHMMRXUAHZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.50
Rot. Bonds5

About 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-propan-2-ylacetamide

2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 3228808) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-propan-2-ylacetamide
PubChem CID3228808
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc(C2(O)CCN(CC(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C17H26N2O3/c1-13(2)18-16(20)12-19-10-8-17(21,9-11-19)14-4-6-15(22-3)7-5-14/h4-7,13,21H,8-12H2,1-3H3,(H,18,20)
InChIKeyMZKFXHMMRXUAHZ-UHFFFAOYSA-N
XLogP1.50
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-propan-2-ylacetamide (CID 3228808) is 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-propan-2-ylacetamide is COc1ccc(C2(O)CCN(CC(=O)NC(C)C)CC2)cc1.
What is the InChIKey of 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is MZKFXHMMRXUAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13(2)18-16(20)12-19-10-8-17(21,9-11-19)14-4-6-15(22-3)7-5-14/h4-7,13,21H,8-12H2,1-3H3,(H,18,20).
What are the key properties of 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-propan-2-ylacetamide?
2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 306.41 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 3228808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).