1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid

C18H25NO4 — CID 119166313

IUPAC1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid
SMILESCCCOc1ccc(CCC(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H25NO4/c1-2-13-23-16-6-3-14(4-7-16)5-8-17(20)19-11-9-15(10-12-19)18(21)22/h3-4,6-7,15H,2,5,8-13H2,1H3,(H,21,22)
InChIKeyPNXFHBHHFOEERZ-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.73
Rot. Bonds7

About 1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid

1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid (PubChem CID 119166313) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid
PubChem CID119166313
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid
SMILESCCCOc1ccc(CCC(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H25NO4/c1-2-13-23-16-6-3-14(4-7-16)5-8-17(20)19-11-9-15(10-12-19)18(21)22/h3-4,6-7,15H,2,5,8-13H2,1H3,(H,21,22)
InChIKeyPNXFHBHHFOEERZ-UHFFFAOYSA-N
XLogP2.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-oxo-1,4-thiazinan-4-yl)-3-(4-propoxyphenyl)propan-1-one
CID 71994883
1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5233671
1-[3-[4-(difluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid
CID 119166789
3-(4-ethoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
CID 112536917
1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 45341294
1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 43238969
1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid
CID 119908222
1-(4-methylpiperidin-1-yl)-4-(4-propylphenoxy)butan-1-one
CID 19191324
(3R)-1-[3-(4-ethoxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 124576550
1-(3-methylpiperazin-1-yl)-3-(4-propoxyphenyl)propan-1-one;hydrochloride
CID 119579077
3-(4-propoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
CID 121150439
1-[3-(4-ethoxyphenyl)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118652

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid (CID 119166313) is 1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid is CCCOc1ccc(CCC(=O)N2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is PNXFHBHHFOEERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-2-13-23-16-6-3-14(4-7-16)5-8-17(20)19-11-9-15(10-12-19)18(21)22/h3-4,6-7,15H,2,5,8-13H2,1H3,(H,21,22).
What are the key properties of 1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid?
1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119166313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).