1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidine-2-carboxylic acid

C19H25NO6 — CID 119175739

IUPAC1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidine-2-carboxylic acid
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C19H25NO6/c1-13(21)14-8-9-16(17(12-14)25-2)26-11-5-7-18(22)20-10-4-3-6-15(20)19(23)24/h8-9,12,15H,3-7,10-11H2,1-2H3,(H,23,24)
InChIKeyISWGUOHIPFGKTD-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.52
Rot. Bonds8

About 1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidine-2-carboxylic acid

1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidine-2-carboxylic acid (PubChem CID 119175739) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is 1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidine-2-carboxylic acid
PubChem CID119175739
Molecular FormulaC19H25NO6
Molecular Weight363.41 g/mol
Exact Mass363.17
IUPAC Name1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidine-2-carboxylic acid
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C19H25NO6/c1-13(21)14-8-9-16(17(12-14)25-2)26-11-5-7-18(22)20-10-4-3-6-15(20)19(23)24/h8-9,12,15H,3-7,10-11H2,1-2H3,(H,23,24)
InChIKeyISWGUOHIPFGKTD-UHFFFAOYSA-N
XLogP2.52
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 119176135
4-(4-acetyl-2-methoxyphenoxy)-1-(2-naphthalen-1-ylpyrrolidin-1-yl)butan-1-one
CID 60575718
1-[2-(4-methoxy-3-propoxyphenyl)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 121296315
4-(4-acetyl-2-methoxyphenoxy)-1-[3-(aminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119485550
N-[1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 46491795
6-(4-acetyl-2-methoxyphenoxy)hexan-2-one
CID 62029689
(2R)-1-[3-(2-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 79035276
1-[3-(2-methoxyphenoxy)propyl]piperidine-2-carboxylic acid
CID 82224104
(2R)-1-(3-fluoro-4-methoxybenzoyl)piperidine-2-carboxylic acid
CID 79034351
(2R)-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-2-carboxylic acid
CID 119371594
(2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79035338
(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79034352

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidine-2-carboxylic acid (CID 119175739) is 1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidine-2-carboxylic acid is COc1cc(C(C)=O)ccc1OCCCC(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidine-2-carboxylic acid?
The InChIKey is ISWGUOHIPFGKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO6/c1-13(21)14-8-9-16(17(12-14)25-2)26-11-5-7-18(22)20-10-4-3-6-15(20)19(23)24/h8-9,12,15H,3-7,10-11H2,1-2H3,(H,23,24).
What are the key properties of 1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidine-2-carboxylic acid?
1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidine-2-carboxylic acid has a molecular weight of 363.41 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119175739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).