4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phthalic acid

C19H25NO7 — CID 134579774

IUPAC4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phthalic acid
SMILESCC(C)(C)OC(=O)N1CCC(COc2ccc(C(=O)O)c(C(=O)O)c2)CC1
InChIInChI=1S/C19H25NO7/c1-19(2,3)27-18(25)20-8-6-12(7-9-20)11-26-13-4-5-14(16(21)22)15(10-13)17(23)24/h4-5,10,12H,6-9,11H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyPZMZLESIFNHYCY-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.11
Rot. Bonds5

About 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phthalic acid

4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phthalic acid (PubChem CID 134579774) has the molecular formula C19H25NO7 and a molecular weight of 379.41 g/mol. Its IUPAC name is 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phthalic acid.

Molecular Properties

Compound Name4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phthalic acid
PubChem CID134579774
Molecular FormulaC19H25NO7
Molecular Weight379.41 g/mol
Exact Mass379.16
IUPAC Name4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phthalic acid
SMILESCC(C)(C)OC(=O)N1CCC(COc2ccc(C(=O)O)c(C(=O)O)c2)CC1
InChIInChI=1S/C19H25NO7/c1-19(2,3)27-18(25)20-8-6-12(7-9-20)11-26-13-4-5-14(16(21)22)15(10-13)17(23)24/h4-5,10,12H,6-9,11H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyPZMZLESIFNHYCY-UHFFFAOYSA-N
XLogP3.11
TPSA113.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phthalic acid with MolForge

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Related Compounds

2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]benzoic acid
CID 175684084
2-methoxy-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]benzoic acid
CID 22914678
tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate
CID 59526855
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]-4-propan-2-ylbenzoic acid
CID 165416509
tert-butyl 4-[(4-amino-3-fluorophenoxy)methyl]piperidine-1-carboxylate
CID 164576765
tert-butyl 4-[(4-propan-2-ylphenoxy)methyl]piperidine-1-carboxylate
CID 58790148
tert-butyl 4-[[4-[(E)-3-(4-hydroxy-3-methylphenyl)prop-2-enoyl]-3-methylphenoxy]methyl]piperidine-1-carboxylate
CID 68596887
5-chloro-4-iodo-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]benzoic acid
CID 172648588
tert-butyl 4-[(3-amino-1,2,4-benzotriazin-6-yl)oxymethyl]piperidine-1-carboxylate
CID 69318255
methyl 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]quinoline-4-carboxylate
CID 176864084
tert-butyl 3-[(3-amino-4-methoxyphenoxy)methyl]pyrrolidine-1-carboxylate
CID 166174101
tert-butyl 7-[(1-phenylmethoxycarbonylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 11248636

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phthalic acid?
The IUPAC name of 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phthalic acid (CID 134579774) is 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phthalic acid.
What is the SMILES notation for 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phthalic acid?
The canonical SMILES for 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phthalic acid is CC(C)(C)OC(=O)N1CCC(COc2ccc(C(=O)O)c(C(=O)O)c2)CC1.
What is the InChIKey of 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phthalic acid?
The InChIKey is PZMZLESIFNHYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO7/c1-19(2,3)27-18(25)20-8-6-12(7-9-20)11-26-13-4-5-14(16(21)22)15(10-13)17(23)24/h4-5,10,12H,6-9,11H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phthalic acid?
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phthalic acid has a molecular weight of 379.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phthalic acid is sourced from PubChem (CID 134579774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).