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

C19H26N2O4 — CID 97205647

IUPAC3-[(3S)-1-(3-morpholin-4-ylpropanoyl)piperidin-3-yl]benzoic acid
SMILESO=C(O)c1cccc([C@@H]2CCCN(C(=O)CCN3CCOCC3)C2)c1
InChIInChI=1S/C19H26N2O4/c22-18(6-8-20-9-11-25-12-10-20)21-7-2-5-17(14-21)15-3-1-4-16(13-15)19(23)24/h1,3-4,13,17H,2,5-12,14H2,(H,23,24)/t17-/m1/s1
InChIKeyWTRMKPFOOLBRRQ-QGZVFWFLSA-N
MW346.43 g/mol
LogP1.81
Rot. Bonds5

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

3-[(3S)-1-(3-morpholin-4-ylpropanoyl)piperidin-3-yl]benzoic acid (PubChem CID 97205647) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[(3S)-1-(3-morpholin-4-ylpropanoyl)piperidin-3-yl]benzoic acid.

Molecular Properties

Compound Name3-[(3S)-1-(3-morpholin-4-ylpropanoyl)piperidin-3-yl]benzoic acid
PubChem CID97205647
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name3-[(3S)-1-(3-morpholin-4-ylpropanoyl)piperidin-3-yl]benzoic acid
SMILESO=C(O)c1cccc([C@@H]2CCCN(C(=O)CCN3CCOCC3)C2)c1
InChIInChI=1S/C19H26N2O4/c22-18(6-8-20-9-11-25-12-10-20)21-7-2-5-17(14-21)15-3-1-4-16(13-15)19(23)24/h1,3-4,13,17H,2,5-12,14H2,(H,23,24)/t17-/m1/s1
InChIKeyWTRMKPFOOLBRRQ-QGZVFWFLSA-N
XLogP1.81
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzoic acid
CID 72871214
3-[1-[2-(2-pyrrolidin-1-ylethylsulfanyl)acetyl]piperidin-3-yl]benzoic acid
CID 72878294
3-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]benzoic acid
CID 72873518
3-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid
CID 72915723
3-[(3S)-1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidin-3-yl]benzoic acid
CID 97210347
4-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]benzoic acid
CID 97209889
3-[(3S)-1-(4-imidazol-1-ylbutanoyl)piperidin-3-yl]benzoic acid
CID 97196298
3-[(3R)-1-[2-(cyclopropylmethylsulfanyl)acetyl]piperidin-3-yl]benzoic acid
CID 97190325
(3S)-3-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891197
3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid
CID 72840586
3-[(3R)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidin-3-yl]benzoic acid
CID 97200814
2-methyl-2-[3-[1-(3-piperidin-1-ylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid
CID 11697032

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(3-morpholin-4-ylpropanoyl)piperidin-3-yl]benzoic acid?
The IUPAC name of 3-[(3S)-1-(3-morpholin-4-ylpropanoyl)piperidin-3-yl]benzoic acid (CID 97205647) is 3-[(3S)-1-(3-morpholin-4-ylpropanoyl)piperidin-3-yl]benzoic acid.
What is the SMILES notation for 3-[(3S)-1-(3-morpholin-4-ylpropanoyl)piperidin-3-yl]benzoic acid?
The canonical SMILES for 3-[(3S)-1-(3-morpholin-4-ylpropanoyl)piperidin-3-yl]benzoic acid is O=C(O)c1cccc([C@@H]2CCCN(C(=O)CCN3CCOCC3)C2)c1.
What is the InChIKey of 3-[(3S)-1-(3-morpholin-4-ylpropanoyl)piperidin-3-yl]benzoic acid?
The InChIKey is WTRMKPFOOLBRRQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N2O4/c22-18(6-8-20-9-11-25-12-10-20)21-7-2-5-17(14-21)15-3-1-4-16(13-15)19(23)24/h1,3-4,13,17H,2,5-12,14H2,(H,23,24)/t17-/m1/s1.
What are the key properties of 3-[(3S)-1-(3-morpholin-4-ylpropanoyl)piperidin-3-yl]benzoic acid?
3-[(3S)-1-(3-morpholin-4-ylpropanoyl)piperidin-3-yl]benzoic acid has a molecular weight of 346.43 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(3-morpholin-4-ylpropanoyl)piperidin-3-yl]benzoic acid is sourced from PubChem (CID 97205647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).