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

C17H27N2O3+ — CID 7436227

IUPAC2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-ium-1-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc(C2(O)CC[NH+](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)/p+1
InChIKeyMZKFXHMMRXUAHZ-UHFFFAOYSA-O
MW307.41 g/mol
LogP0.09
Rot. Bonds5

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

2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-ium-1-yl]-N-propan-2-ylacetamide (PubChem CID 7436227) has the molecular formula C17H27N2O3+ and a molecular weight of 307.41 g/mol. Its IUPAC name is 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-ium-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-ium-1-yl]-N-propan-2-ylacetamide
PubChem CID7436227
Molecular FormulaC17H27N2O3+
Molecular Weight307.41 g/mol
Exact Mass307.20
IUPAC Name2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-ium-1-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc(C2(O)CC[NH+](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)/p+1
InChIKeyMZKFXHMMRXUAHZ-UHFFFAOYSA-O
XLogP0.09
TPSA63.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxypropyl)-2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-ium-1-yl]acetamide
CID 7436223
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
N-[(2R)-butan-2-yl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9130139
2-[4-[(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide
CID 9226005
1-(4-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 55105917
8-(4-methoxyphenyl)spiro[4.5]decan-8-ol
CID 114819307
ethyl formate;1-(4-methoxyphenyl)cyclobutan-1-ol
CID 174816439
N-[1-(4-methoxyphenyl)cyclopropyl]propanamide
CID 113091106
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8587311
N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide
CID 108940806
2-[[1-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 60681805
N-[[(2R)-butan-2-yl]carbamoyl]-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9259105

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-ium-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-ium-1-yl]-N-propan-2-ylacetamide (CID 7436227) is 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-ium-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-ium-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-ium-1-yl]-N-propan-2-ylacetamide is COc1ccc(C2(O)CC[NH+](CC(=O)NC(C)C)CC2)cc1.
What is the InChIKey of 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-ium-1-yl]-N-propan-2-ylacetamide?
The InChIKey is MZKFXHMMRXUAHZ-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-ium-1-yl]-N-propan-2-ylacetamide?
2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-ium-1-yl]-N-propan-2-ylacetamide has a molecular weight of 307.41 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-ium-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 7436227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).