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

C18H24N2O5 — CID 53255865

IUPAC3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2cccc(C(=O)O)c2)CC1
InChIInChI=1S/C18H24N2O5/c1-18(2,3)25-17(24)20-9-7-14(8-10-20)19-15(21)12-5-4-6-13(11-12)16(22)23/h4-6,11,14H,7-10H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyPTVWISOJAANKAQ-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.51
Rot. Bonds3

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

3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid (PubChem CID 53255865) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
PubChem CID53255865
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2cccc(C(=O)O)c2)CC1
InChIInChI=1S/C18H24N2O5/c1-18(2,3)25-17(24)20-9-7-14(8-10-20)19-15(21)12-5-4-6-13(11-12)16(22)23/h4-6,11,14H,7-10H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyPTVWISOJAANKAQ-UHFFFAOYSA-N
XLogP2.51
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 53255515
tert-butyl 4-(benzoylcarbamoylamino)piperidine-1-carboxylate
CID 58602980
tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate
CID 55985531
tert-butyl 4-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 55986626
tert-butyl 4-(benzoylcarbamothioylamino)piperidine-1-carboxylate
CID 75480976
3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]benzoic acid
CID 53256165
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfamoyl]benzoic acid
CID 53255861
tert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate
CID 24575440
tert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 122598194
tert-butyl 3-[(3-aminobenzoyl)amino]azetidine-1-carboxylate
CID 89028394
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496
methyl 4-[(3-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392498

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid?
The IUPAC name of 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid (CID 53255865) is 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid.
What is the SMILES notation for 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid?
The canonical SMILES for 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid is CC(C)(C)OC(=O)N1CCC(NC(=O)c2cccc(C(=O)O)c2)CC1.
What is the InChIKey of 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid?
The InChIKey is PTVWISOJAANKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-18(2,3)25-17(24)20-9-7-14(8-10-20)19-15(21)12-5-4-6-13(11-12)16(22)23/h4-6,11,14H,7-10H2,1-3H3,(H,19,21)(H,22,23).
What are the key properties of 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid?
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid has a molecular weight of 348.40 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid is sourced from PubChem (CID 53255865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).