4-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]benzoic acid

C18H24N2O4 — CID 97209889

IUPAC4-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]benzoic acid
SMILESO=C(O)c1ccc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)cc1
InChIInChI=1S/C18H24N2O4/c21-17(13-19-8-10-24-11-9-19)20-7-1-2-16(12-20)14-3-5-15(6-4-14)18(22)23/h3-6,16H,1-2,7-13H2,(H,22,23)/t16-/m0/s1
InChIKeyGHSUOVVSCZRRSY-INIZCTEOSA-N
MW332.40 g/mol
LogP1.42
Rot. Bonds4

About 4-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]benzoic acid

4-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]benzoic acid (PubChem CID 97209889) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]benzoic acid
PubChem CID97209889
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name4-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]benzoic acid
SMILESO=C(O)c1ccc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)cc1
InChIInChI=1S/C18H24N2O4/c21-17(13-19-8-10-24-11-9-19)20-7-1-2-16(12-20)14-3-5-15(6-4-14)18(22)23/h3-6,16H,1-2,7-13H2,(H,22,23)/t16-/m0/s1
InChIKeyGHSUOVVSCZRRSY-INIZCTEOSA-N
XLogP1.42
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R)-1-[2-(4-ethylpiperazin-1-yl)acetyl]piperidin-3-yl]benzoic acid
CID 97210569
4-[(3R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid
CID 97194980
4-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid
CID 72852455
4-[(3R)-1-(3-cyclopropylpropanoyl)piperidin-3-yl]benzoic acid
CID 97193946
3-[(3S)-1-(3-morpholin-4-ylpropanoyl)piperidin-3-yl]benzoic acid
CID 97205647
4-[1-[2-(diethylamino)acetyl]piperidin-3-yl]benzoic acid
CID 72876996
4-[1-(3-methoxypropanoyl)piperidin-3-yl]benzoic acid
CID 72850979
2-morpholin-4-yl-1-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 90650699
4-[(3S)-1-(3-morpholin-4-ylbenzoyl)piperidin-3-yl]benzoic acid
CID 97187916
4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzoic acid
CID 72934573
4-[(3R)-1-[2-(4-oxoquinolin-1-yl)acetyl]piperidin-3-yl]benzoic acid
CID 97194322
3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzoic acid
CID 72871214

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]benzoic acid?
The IUPAC name of 4-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]benzoic acid (CID 97209889) is 4-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]benzoic acid.
What is the SMILES notation for 4-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]benzoic acid?
The canonical SMILES for 4-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]benzoic acid is O=C(O)c1ccc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)cc1.
What is the InChIKey of 4-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]benzoic acid?
The InChIKey is GHSUOVVSCZRRSY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-17(13-19-8-10-24-11-9-19)20-7-1-2-16(12-20)14-3-5-15(6-4-14)18(22)23/h3-6,16H,1-2,7-13H2,(H,22,23)/t16-/m0/s1.
What are the key properties of 4-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]benzoic acid?
4-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]benzoic acid has a molecular weight of 332.40 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]benzoic acid is sourced from PubChem (CID 97209889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).