3-[acetyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid

C19H26N2O5 — CID 146197469

IUPAC3-[acetyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid
SMILESCC(=O)N(c1cccc(C(=O)O)c1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H26N2O5/c1-13(22)21(16-7-5-6-14(12-16)17(23)24)15-8-10-20(11-9-15)18(25)26-19(2,3)4/h5-7,12,15H,8-11H2,1-4H3,(H,23,24)
InChIKeyXZHMHZAGJKAOFS-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.14
Rot. Bonds3

About 3-[acetyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid

3-[acetyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid (PubChem CID 146197469) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[acetyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid.

Molecular Properties

Compound Name3-[acetyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid
PubChem CID146197469
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name3-[acetyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid
SMILESCC(=O)N(c1cccc(C(=O)O)c1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H26N2O5/c1-13(22)21(16-7-5-6-14(12-16)17(23)24)15-8-10-20(11-9-15)18(25)26-19(2,3)4/h5-7,12,15H,8-11H2,1-4H3,(H,23,24)
InChIKeyXZHMHZAGJKAOFS-UHFFFAOYSA-N
XLogP3.14
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[acetyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid with MolForge

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Related Compounds

tert-butyl 4-(N-acetyl-4-fluoroanilino)piperidine-1-carboxylate;ethane
CID 143303337
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate
CID 118798320
3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]benzoic acid
CID 57421826
tert-butyl 4-(1,1-difluoro-2-oxo-2-phenylethyl)piperidine-1-carboxylate
CID 155929643
tert-butyl 4-[(E)-2-(3-tert-butylphenyl)ethenyl]piperidine-1-carboxylate
CID 59686322
tert-butyl 4-[phenyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate
CID 123747979
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfamoyl]benzoic acid
CID 53255861
3-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]methyl]benzoic acid
CID 172875964
3-[N-acetyl-3-[(1-methylazetidin-3-yl)carbamoyl]anilino]pyrrolidine-1-carboxylic acid
CID 146213122
tert-butyl 4-phenacylpiperidine-1-carboxylate
CID 137373276
tert-butyl 4-(3-bromobenzoyl)piperidine-1-carboxylate
CID 171314862

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid?
The IUPAC name of 3-[acetyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid (CID 146197469) is 3-[acetyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid.
What is the SMILES notation for 3-[acetyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid?
The canonical SMILES for 3-[acetyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid is CC(=O)N(c1cccc(C(=O)O)c1)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 3-[acetyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid?
The InChIKey is XZHMHZAGJKAOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-13(22)21(16-7-5-6-14(12-16)17(23)24)15-8-10-20(11-9-15)18(25)26-19(2,3)4/h5-7,12,15H,8-11H2,1-4H3,(H,23,24).
What are the key properties of 3-[acetyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid?
3-[acetyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid has a molecular weight of 362.43 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid is sourced from PubChem (CID 146197469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).