2-phenyl-3-(3-propoxypiperidin-1-yl)propanoic acid

C17H25NO3 — CID 63075263

IUPAC2-phenyl-3-(3-propoxypiperidin-1-yl)propanoic acid
SMILESCCCOC1CCCN(CC(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C17H25NO3/c1-2-11-21-15-9-6-10-18(12-15)13-16(17(19)20)14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13H2,1H3,(H,19,20)
InChIKeyCXFQDTJFDCMDKW-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.75
Rot. Bonds7

About 2-phenyl-3-(3-propoxypiperidin-1-yl)propanoic acid

2-phenyl-3-(3-propoxypiperidin-1-yl)propanoic acid (PubChem CID 63075263) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-phenyl-3-(3-propoxypiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-(3-propoxypiperidin-1-yl)propanoic acid
PubChem CID63075263
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-phenyl-3-(3-propoxypiperidin-1-yl)propanoic acid
SMILESCCCOC1CCCN(CC(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C17H25NO3/c1-2-11-21-15-9-6-10-18(12-15)13-16(17(19)20)14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13H2,1H3,(H,19,20)
InChIKeyCXFQDTJFDCMDKW-UHFFFAOYSA-N
XLogP2.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate
CID 102959585
(2S)-2-phenyl-2-[(3R)-3-propoxypiperidin-1-yl]acetamide
CID 94215510
3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid
CID 64558858
3-(3-methylpyrrolidin-1-yl)-2-phenylpropanoic acid
CID 63067114
2-phenyl-1-(3-propoxypiperidin-1-yl)propan-2-ol
CID 62375325
2-phenyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 119031136
3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid
CID 103976377
2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride
CID 67449753
2-phenylsulfanyl-1-(3-propoxypiperidin-1-yl)ethanone
CID 91786439
methyl 3-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64564821
methyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64559049
1-amino-2-phenyl-3-(3-propoxypiperidin-1-yl)propan-2-ol
CID 64819801

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(3-propoxypiperidin-1-yl)propanoic acid?
The IUPAC name of 2-phenyl-3-(3-propoxypiperidin-1-yl)propanoic acid (CID 63075263) is 2-phenyl-3-(3-propoxypiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-phenyl-3-(3-propoxypiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-phenyl-3-(3-propoxypiperidin-1-yl)propanoic acid is CCCOC1CCCN(CC(C(=O)O)c2ccccc2)C1.
What is the InChIKey of 2-phenyl-3-(3-propoxypiperidin-1-yl)propanoic acid?
The InChIKey is CXFQDTJFDCMDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-11-21-15-9-6-10-18(12-15)13-16(17(19)20)14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13H2,1H3,(H,19,20).
What are the key properties of 2-phenyl-3-(3-propoxypiperidin-1-yl)propanoic acid?
2-phenyl-3-(3-propoxypiperidin-1-yl)propanoic acid has a molecular weight of 291.39 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(3-propoxypiperidin-1-yl)propanoic acid is sourced from PubChem (CID 63075263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).