4-[1-[2-[(3R)-morpholin-3-yl]acetyl]piperidin-4-yl]oxybenzoic acid

C18H24N2O5 — CID 95710502

IUPAC4-[1-[2-[(3R)-morpholin-3-yl]acetyl]piperidin-4-yl]oxybenzoic acid
SMILESO=C(O)c1ccc(OC2CCN(C(=O)C[C@@H]3COCCN3)CC2)cc1
InChIInChI=1S/C18H24N2O5/c21-17(11-14-12-24-10-7-19-14)20-8-5-16(6-9-20)25-15-3-1-13(2-4-15)18(22)23/h1-4,14,16,19H,5-12H2,(H,22,23)/t14-/m1/s1
InChIKeyWPSWAKMXXWRFJQ-CQSZACIVSA-N
MW348.40 g/mol
LogP1.13
Rot. Bonds5

About 4-[1-[2-[(3R)-morpholin-3-yl]acetyl]piperidin-4-yl]oxybenzoic acid

4-[1-[2-[(3R)-morpholin-3-yl]acetyl]piperidin-4-yl]oxybenzoic acid (PubChem CID 95710502) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-[1-[2-[(3R)-morpholin-3-yl]acetyl]piperidin-4-yl]oxybenzoic acid.

Molecular Properties

Compound Name4-[1-[2-[(3R)-morpholin-3-yl]acetyl]piperidin-4-yl]oxybenzoic acid
PubChem CID95710502
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name4-[1-[2-[(3R)-morpholin-3-yl]acetyl]piperidin-4-yl]oxybenzoic acid
SMILESO=C(O)c1ccc(OC2CCN(C(=O)C[C@@H]3COCCN3)CC2)cc1
InChIInChI=1S/C18H24N2O5/c21-17(11-14-12-24-10-7-19-14)20-8-5-16(6-9-20)25-15-3-1-13(2-4-15)18(22)23/h1-4,14,16,19H,5-12H2,(H,22,23)/t14-/m1/s1
InChIKeyWPSWAKMXXWRFJQ-CQSZACIVSA-N
XLogP1.13
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[1-[2-[(3R)-morpholin-3-yl]acetyl]piperidin-4-yl]oxybenzoic acid with MolForge

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Related Compounds

1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-[(3S)-morpholin-3-yl]ethanone
CID 96581347
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
CID 96577888
4-[(3R)-oxolan-3-yl]oxybenzoic acid
CID 95979365
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
CID 95714397
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
CID 95728100
1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
CID 96572481
N-[(4-fluorophenyl)methyl]-3-[1-[2-[(3S)-morpholin-3-yl]acetyl]piperidin-4-yl]propanamide
CID 97278133
1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-2-morpholin-3-ylethanone
CID 70766726
2-[(3R)-morpholin-3-yl]-1-phenylethanone
CID 95396636
2-morpholin-3-yl-1-phenylethanone
CID 14753828
1-(6-methoxynaphthalen-2-yl)-2-morpholin-3-ylethanone
CID 81469263
1-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-2-morpholin-3-ylethanone
CID 56902145

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-[(3R)-morpholin-3-yl]acetyl]piperidin-4-yl]oxybenzoic acid?
The IUPAC name of 4-[1-[2-[(3R)-morpholin-3-yl]acetyl]piperidin-4-yl]oxybenzoic acid (CID 95710502) is 4-[1-[2-[(3R)-morpholin-3-yl]acetyl]piperidin-4-yl]oxybenzoic acid.
What is the SMILES notation for 4-[1-[2-[(3R)-morpholin-3-yl]acetyl]piperidin-4-yl]oxybenzoic acid?
The canonical SMILES for 4-[1-[2-[(3R)-morpholin-3-yl]acetyl]piperidin-4-yl]oxybenzoic acid is O=C(O)c1ccc(OC2CCN(C(=O)C[C@@H]3COCCN3)CC2)cc1.
What is the InChIKey of 4-[1-[2-[(3R)-morpholin-3-yl]acetyl]piperidin-4-yl]oxybenzoic acid?
The InChIKey is WPSWAKMXXWRFJQ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N2O5/c21-17(11-14-12-24-10-7-19-14)20-8-5-16(6-9-20)25-15-3-1-13(2-4-15)18(22)23/h1-4,14,16,19H,5-12H2,(H,22,23)/t14-/m1/s1.
What are the key properties of 4-[1-[2-[(3R)-morpholin-3-yl]acetyl]piperidin-4-yl]oxybenzoic acid?
4-[1-[2-[(3R)-morpholin-3-yl]acetyl]piperidin-4-yl]oxybenzoic acid has a molecular weight of 348.40 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-[(3R)-morpholin-3-yl]acetyl]piperidin-4-yl]oxybenzoic acid is sourced from PubChem (CID 95710502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).