4-[(3R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid

C21H32N2O3 — CID 97194980

IUPAC4-[(3R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid
SMILESCC(C)(CN1CCOCC1)CN1CCC[C@H](c2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C21H32N2O3/c1-21(2,15-22-10-12-26-13-11-22)16-23-9-3-4-19(14-23)17-5-7-18(8-6-17)20(24)25/h5-8,19H,3-4,9-16H2,1-2H3,(H,24,25)/t19-/m0/s1
InChIKeyWJCGWDCGUJRSGC-IBGZPJMESA-N
MW360.50 g/mol
LogP2.92
Rot. Bonds6

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

4-[(3R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid (PubChem CID 97194980) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 4-[(3R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[(3R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid
PubChem CID97194980
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name4-[(3R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid
SMILESCC(C)(CN1CCOCC1)CN1CCC[C@H](c2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C21H32N2O3/c1-21(2,15-22-10-12-26-13-11-22)16-23-9-3-4-19(14-23)17-5-7-18(8-6-17)20(24)25/h5-8,19H,3-4,9-16H2,1-2H3,(H,24,25)/t19-/m0/s1
InChIKeyWJCGWDCGUJRSGC-IBGZPJMESA-N
XLogP2.92
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid with MolForge

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Related Compounds

4-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]benzoic acid
CID 97209889
3-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid
CID 72915723
4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzoic acid
CID 72934573
4-[(3S)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]benzoic acid
CID 97210621
3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzoic acid
CID 72871214
4-[(3R)-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]benzoic acid
CID 97187836
4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]benzoic acid
CID 97201982
4-[(3S)-1-(3-morpholin-4-ylbenzoyl)piperidin-3-yl]benzoic acid
CID 97187916
4-[1-(2-ethoxy-2-methylpropanoyl)piperidin-3-yl]benzoic acid
CID 72838042
4-[(3R)-1-[2-(4-ethylpiperazin-1-yl)acetyl]piperidin-3-yl]benzoic acid
CID 97210569
4-[(3R)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]benzoic acid
CID 97201831
4-[(3R)-1-[(4-acetyl-1-methylpyrrol-2-yl)methyl]piperidin-3-yl]benzoic acid
CID 97208045

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid?
The IUPAC name of 4-[(3R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid (CID 97194980) is 4-[(3R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid.
What is the SMILES notation for 4-[(3R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid?
The canonical SMILES for 4-[(3R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid is CC(C)(CN1CCOCC1)CN1CCC[C@H](c2ccc(C(=O)O)cc2)C1.
What is the InChIKey of 4-[(3R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid?
The InChIKey is WJCGWDCGUJRSGC-IBGZPJMESA-N. The full InChI is InChI=1S/C21H32N2O3/c1-21(2,15-22-10-12-26-13-11-22)16-23-9-3-4-19(14-23)17-5-7-18(8-6-17)20(24)25/h5-8,19H,3-4,9-16H2,1-2H3,(H,24,25)/t19-/m0/s1.
What are the key properties of 4-[(3R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid?
4-[(3R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid has a molecular weight of 360.50 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid is sourced from PubChem (CID 97194980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).