4-[6-[(4-acetyl-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid

C23H26N2O5 — CID 175721621

IUPAC4-[6-[(4-acetyl-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid
SMILESCC(=O)c1ccc(COc2cccc(C3CCN(C(=O)O)CC3)n2)c(OC2CC2)c1
InChIInChI=1S/C23H26N2O5/c1-15(26)17-5-6-18(21(13-17)30-19-7-8-19)14-29-22-4-2-3-20(24-22)16-9-11-25(12-10-16)23(27)28/h2-6,13,16,19H,7-12,14H2,1H3,(H,27,28)
InChIKeyKEMAVXHYELMZOQ-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.26
Rot. Bonds7

About 4-[6-[(4-acetyl-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid

4-[6-[(4-acetyl-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid (PubChem CID 175721621) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-[6-[(4-acetyl-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-[(4-acetyl-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid
PubChem CID175721621
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name4-[6-[(4-acetyl-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid
SMILESCC(=O)c1ccc(COc2cccc(C3CCN(C(=O)O)CC3)n2)c(OC2CC2)c1
InChIInChI=1S/C23H26N2O5/c1-15(26)17-5-6-18(21(13-17)30-19-7-8-19)14-29-22-4-2-3-20(24-22)16-9-11-25(12-10-16)23(27)28/h2-6,13,16,19H,7-12,14H2,1H3,(H,27,28)
InChIKeyKEMAVXHYELMZOQ-UHFFFAOYSA-N
XLogP4.26
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[6-[(4-acetyl-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

3-methoxy-4-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]oxymethyl]benzoic acid
CID 167016002
tert-butyl 4-[6-[(2-methoxy-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate
CID 163253222
4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 68924039
4-[6-[(3-fluoro-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid
CID 175721656
1-[3-methoxy-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]phenyl]-2-methylpropan-1-one
CID 163253215
4-(6-methyl-2-pyridinyl)piperidine-1-carboxylic acid
CID 134498935
1-[4-(6-phenoxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95821984
tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170079671
tert-butyl 4-[6-[(4-acetyl-3-methoxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate
CID 163253291
CID 174096666
CID 174096666
4-(bromomethyl)-3-cyclopropyloxybenzoic acid
CID 122501354
4-(6-tert-butyl-2-pyridinyl)piperidine-1-carboxylic acid
CID 170165614

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-acetyl-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[6-[(4-acetyl-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid (CID 175721621) is 4-[6-[(4-acetyl-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[6-[(4-acetyl-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[6-[(4-acetyl-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid is CC(=O)c1ccc(COc2cccc(C3CCN(C(=O)O)CC3)n2)c(OC2CC2)c1.
What is the InChIKey of 4-[6-[(4-acetyl-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid?
The InChIKey is KEMAVXHYELMZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-15(26)17-5-6-18(21(13-17)30-19-7-8-19)14-29-22-4-2-3-20(24-22)16-9-11-25(12-10-16)23(27)28/h2-6,13,16,19H,7-12,14H2,1H3,(H,27,28).
What are the key properties of 4-[6-[(4-acetyl-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid?
4-[6-[(4-acetyl-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid has a molecular weight of 410.47 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-acetyl-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 175721621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).