3-[1-(3-methoxyazetidine-1-carbonyl)piperidin-4-yl]-3-phenylpropanoic acid

C19H26N2O4 — CID 166279188

IUPAC3-[1-(3-methoxyazetidine-1-carbonyl)piperidin-4-yl]-3-phenylpropanoic acid
SMILESCOC1CN(C(=O)N2CCC(C(CC(=O)O)c3ccccc3)CC2)C1
InChIInChI=1S/C19H26N2O4/c1-25-16-12-21(13-16)19(24)20-9-7-15(8-10-20)17(11-18(22)23)14-5-3-2-4-6-14/h2-6,15-17H,7-13H2,1H3,(H,22,23)
InChIKeyONCAENDORKDFJQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.41
Rot. Bonds5

About 3-[1-(3-methoxyazetidine-1-carbonyl)piperidin-4-yl]-3-phenylpropanoic acid

3-[1-(3-methoxyazetidine-1-carbonyl)piperidin-4-yl]-3-phenylpropanoic acid (PubChem CID 166279188) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[1-(3-methoxyazetidine-1-carbonyl)piperidin-4-yl]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[1-(3-methoxyazetidine-1-carbonyl)piperidin-4-yl]-3-phenylpropanoic acid
PubChem CID166279188
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name3-[1-(3-methoxyazetidine-1-carbonyl)piperidin-4-yl]-3-phenylpropanoic acid
SMILESCOC1CN(C(=O)N2CCC(C(CC(=O)O)c3ccccc3)CC2)C1
InChIInChI=1S/C19H26N2O4/c1-25-16-12-21(13-16)19(24)20-9-7-15(8-10-20)17(11-18(22)23)14-5-3-2-4-6-14/h2-6,15-17H,7-13H2,1H3,(H,22,23)
InChIKeyONCAENDORKDFJQ-UHFFFAOYSA-N
XLogP2.41
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-cyanoazetidine-1-carbonyl)piperidin-4-yl]-3-phenylpropanoic acid
CID 167959356
3-phenyl-3-(1-prop-2-enoxycarbonylpiperidin-4-yl)propanoic acid
CID 167722036
1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110725272
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid
CID 102962888
3-cyclopropyl-3-[3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117440490
(3R)-3-[[(3S)-3-methoxypyrrolidine-1-carbonyl]amino]-3-naphthalen-1-ylpropanoic acid
CID 167980238
3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid
CID 82045590
ethyl (3S)-3-cyclohexyl-3-phenylpropanoate
CID 125468052
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-2-phenylethanone
CID 61156075
3-cyclopropyl-3-(3-pentan-3-ylphenyl)propanoic acid
CID 117405507
(2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid
CID 103536216
3-cyclopentyl-3-(4-methylphenyl)propanoic acid
CID 19938398

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxyazetidine-1-carbonyl)piperidin-4-yl]-3-phenylpropanoic acid?
The IUPAC name of 3-[1-(3-methoxyazetidine-1-carbonyl)piperidin-4-yl]-3-phenylpropanoic acid (CID 166279188) is 3-[1-(3-methoxyazetidine-1-carbonyl)piperidin-4-yl]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[1-(3-methoxyazetidine-1-carbonyl)piperidin-4-yl]-3-phenylpropanoic acid?
The canonical SMILES for 3-[1-(3-methoxyazetidine-1-carbonyl)piperidin-4-yl]-3-phenylpropanoic acid is COC1CN(C(=O)N2CCC(C(CC(=O)O)c3ccccc3)CC2)C1.
What is the InChIKey of 3-[1-(3-methoxyazetidine-1-carbonyl)piperidin-4-yl]-3-phenylpropanoic acid?
The InChIKey is ONCAENDORKDFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-25-16-12-21(13-16)19(24)20-9-7-15(8-10-20)17(11-18(22)23)14-5-3-2-4-6-14/h2-6,15-17H,7-13H2,1H3,(H,22,23).
What are the key properties of 3-[1-(3-methoxyazetidine-1-carbonyl)piperidin-4-yl]-3-phenylpropanoic acid?
3-[1-(3-methoxyazetidine-1-carbonyl)piperidin-4-yl]-3-phenylpropanoic acid has a molecular weight of 346.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methoxyazetidine-1-carbonyl)piperidin-4-yl]-3-phenylpropanoic acid is sourced from PubChem (CID 166279188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).