3-[[1-[5-(2,1-benzoxazole-3-carbonylamino)-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid

C26H24N4O5 — CID 56839511

IUPAC3-[[1-[5-(2,1-benzoxazole-3-carbonylamino)-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
SMILESO=C(O)c1cccc(OCC2CCN(c3ccc(NC(=O)c4onc5ccccc45)cn3)CC2)c1
InChIInChI=1S/C26H24N4O5/c31-25(24-21-6-1-2-7-22(21)29-35-24)28-19-8-9-23(27-15-19)30-12-10-17(11-13-30)16-34-20-5-3-4-18(14-20)26(32)33/h1-9,14-15,17H,10-13,16H2,(H,28,31)(H,32,33)
InChIKeyUPPVZRMBAMQVEX-UHFFFAOYSA-N
MW472.50 g/mol
LogP4.47
Rot. Bonds7

About 3-[[1-[5-(2,1-benzoxazole-3-carbonylamino)-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid

3-[[1-[5-(2,1-benzoxazole-3-carbonylamino)-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid (PubChem CID 56839511) has the molecular formula C26H24N4O5 and a molecular weight of 472.50 g/mol. Its IUPAC name is 3-[[1-[5-(2,1-benzoxazole-3-carbonylamino)-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name3-[[1-[5-(2,1-benzoxazole-3-carbonylamino)-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
PubChem CID56839511
Molecular FormulaC26H24N4O5
Molecular Weight472.50 g/mol
Exact Mass472.17
IUPAC Name3-[[1-[5-(2,1-benzoxazole-3-carbonylamino)-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
SMILESO=C(O)c1cccc(OCC2CCN(c3ccc(NC(=O)c4onc5ccccc45)cn3)CC2)c1
InChIInChI=1S/C26H24N4O5/c31-25(24-21-6-1-2-7-22(21)29-35-24)28-19-8-9-23(27-15-19)30-12-10-17(11-13-30)16-34-20-5-3-4-18(14-20)26(32)33/h1-9,14-15,17H,10-13,16H2,(H,28,31)(H,32,33)
InChIKeyUPPVZRMBAMQVEX-UHFFFAOYSA-N
XLogP4.47
TPSA117.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[1-[5-(2,1-benzoxazole-3-carbonylamino)-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid with MolForge

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Related Compounds

3-[[1-[5-[(2-benzylbenzoyl)amino]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
CID 56839514
3-[[1-[5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
CID 56838868
methyl 3-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]benzoate
CID 71077920
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-3-fluorobenzamide
CID 113015460
methyl 3-[(1-pyridin-2-ylpiperidin-4-yl)methoxy]benzoate
CID 90086497
methyl 4-[[1-[5-[(2-anilinopyrimidine-4-carbonyl)amino]-2-pyridinyl]piperidin-4-yl]methoxy]benzoate
CID 56839505
2-phenyl-N-[6-[4-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212334
[6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-3-pyridinyl]carbamic acid
CID 174107198
N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041970
6-[4-[(3-acetylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboximidamide
CID 118134686
3-[[1-[5-[2-[5-(2-fluorophenyl)-3-methyl-1-benzofuran-2-yl]-2-oxoethyl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
CID 159768883
3-(cyclooctylmethoxy)benzoic acid
CID 58347494

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[5-(2,1-benzoxazole-3-carbonylamino)-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid?
The IUPAC name of 3-[[1-[5-(2,1-benzoxazole-3-carbonylamino)-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid (CID 56839511) is 3-[[1-[5-(2,1-benzoxazole-3-carbonylamino)-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid.
What is the SMILES notation for 3-[[1-[5-(2,1-benzoxazole-3-carbonylamino)-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid?
The canonical SMILES for 3-[[1-[5-(2,1-benzoxazole-3-carbonylamino)-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid is O=C(O)c1cccc(OCC2CCN(c3ccc(NC(=O)c4onc5ccccc45)cn3)CC2)c1.
What is the InChIKey of 3-[[1-[5-(2,1-benzoxazole-3-carbonylamino)-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid?
The InChIKey is UPPVZRMBAMQVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5/c31-25(24-21-6-1-2-7-22(21)29-35-24)28-19-8-9-23(27-15-19)30-12-10-17(11-13-30)16-34-20-5-3-4-18(14-20)26(32)33/h1-9,14-15,17H,10-13,16H2,(H,28,31)(H,32,33).
What are the key properties of 3-[[1-[5-(2,1-benzoxazole-3-carbonylamino)-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid?
3-[[1-[5-(2,1-benzoxazole-3-carbonylamino)-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid has a molecular weight of 472.50 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[5-(2,1-benzoxazole-3-carbonylamino)-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid is sourced from PubChem (CID 56839511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).