4-[(3S)-1-(3-morpholin-4-ylbenzoyl)piperidin-3-yl]benzoic acid

C23H26N2O4 — CID 97187916

IUPAC4-[(3S)-1-(3-morpholin-4-ylbenzoyl)piperidin-3-yl]benzoic acid
SMILESO=C(O)c1ccc([C@@H]2CCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)cc1
InChIInChI=1S/C23H26N2O4/c26-22(19-3-1-5-21(15-19)24-11-13-29-14-12-24)25-10-2-4-20(16-25)17-6-8-18(9-7-17)23(27)28/h1,3,5-9,15,20H,2,4,10-14,16H2,(H,27,28)/t20-/m1/s1
InChIKeyPWSOUBJORWXTLH-HXUWFJFHSA-N
MW394.47 g/mol
LogP3.24
Rot. Bonds4

About 4-[(3S)-1-(3-morpholin-4-ylbenzoyl)piperidin-3-yl]benzoic acid

4-[(3S)-1-(3-morpholin-4-ylbenzoyl)piperidin-3-yl]benzoic acid (PubChem CID 97187916) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-[(3S)-1-(3-morpholin-4-ylbenzoyl)piperidin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[(3S)-1-(3-morpholin-4-ylbenzoyl)piperidin-3-yl]benzoic acid
PubChem CID97187916
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name4-[(3S)-1-(3-morpholin-4-ylbenzoyl)piperidin-3-yl]benzoic acid
SMILESO=C(O)c1ccc([C@@H]2CCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)cc1
InChIInChI=1S/C23H26N2O4/c26-22(19-3-1-5-21(15-19)24-11-13-29-14-12-24)25-10-2-4-20(16-25)17-6-8-18(9-7-17)23(27)28/h1,3,5-9,15,20H,2,4,10-14,16H2,(H,27,28)/t20-/m1/s1
InChIKeyPWSOUBJORWXTLH-HXUWFJFHSA-N
XLogP3.24
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3S)-1-(3-morpholin-4-ylbenzoyl)piperidin-3-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-morpholin-4-ylphenyl)-[(3S)-3-phenylazepan-1-yl]methanone
CID 129355029
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964
[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-morpholin-4-ylphenyl)methanone
CID 70773218
(3-morpholin-4-ylphenyl)-[3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 132773829
(4-methylphenyl)-[(3S)-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]piperidin-1-yl]methanone
CID 92872433
(3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 155682211
4-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]benzoic acid
CID 97209889
3-[(3S)-1-(quinoxaline-6-carbonyl)piperidin-3-yl]benzoic acid
CID 97209819
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
(3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone
CID 24792021
3-ethyl-1-(3-morpholin-4-ylbenzoyl)piperidine-3-carboxylic acid
CID 72939313
4-[1-(4-methylsulfonylbenzoyl)piperidin-3-yl]benzoic acid
CID 72934601

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-(3-morpholin-4-ylbenzoyl)piperidin-3-yl]benzoic acid?
The IUPAC name of 4-[(3S)-1-(3-morpholin-4-ylbenzoyl)piperidin-3-yl]benzoic acid (CID 97187916) is 4-[(3S)-1-(3-morpholin-4-ylbenzoyl)piperidin-3-yl]benzoic acid.
What is the SMILES notation for 4-[(3S)-1-(3-morpholin-4-ylbenzoyl)piperidin-3-yl]benzoic acid?
The canonical SMILES for 4-[(3S)-1-(3-morpholin-4-ylbenzoyl)piperidin-3-yl]benzoic acid is O=C(O)c1ccc([C@@H]2CCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)cc1.
What is the InChIKey of 4-[(3S)-1-(3-morpholin-4-ylbenzoyl)piperidin-3-yl]benzoic acid?
The InChIKey is PWSOUBJORWXTLH-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26N2O4/c26-22(19-3-1-5-21(15-19)24-11-13-29-14-12-24)25-10-2-4-20(16-25)17-6-8-18(9-7-17)23(27)28/h1,3,5-9,15,20H,2,4,10-14,16H2,(H,27,28)/t20-/m1/s1.
What are the key properties of 4-[(3S)-1-(3-morpholin-4-ylbenzoyl)piperidin-3-yl]benzoic acid?
4-[(3S)-1-(3-morpholin-4-ylbenzoyl)piperidin-3-yl]benzoic acid has a molecular weight of 394.47 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-(3-morpholin-4-ylbenzoyl)piperidin-3-yl]benzoic acid is sourced from PubChem (CID 97187916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).