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

C17H23NO4 — CID 124576550

IUPAC(3R)-1-[3-(4-ethoxyphenyl)propanoyl]piperidine-3-carboxylic acid
SMILESCCOc1ccc(CCC(=O)N2CCC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C17H23NO4/c1-2-22-15-8-5-13(6-9-15)7-10-16(19)18-11-3-4-14(12-18)17(20)21/h5-6,8-9,14H,2-4,7,10-12H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyWCURVRSHXFDZEK-CQSZACIVSA-N
MW305.37 g/mol
LogP2.34
Rot. Bonds6

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

(3R)-1-[3-(4-ethoxyphenyl)propanoyl]piperidine-3-carboxylic acid (PubChem CID 124576550) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is (3R)-1-[3-(4-ethoxyphenyl)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[3-(4-ethoxyphenyl)propanoyl]piperidine-3-carboxylic acid
PubChem CID124576550
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name(3R)-1-[3-(4-ethoxyphenyl)propanoyl]piperidine-3-carboxylic acid
SMILESCCOc1ccc(CCC(=O)N2CCC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C17H23NO4/c1-2-22-15-8-5-13(6-9-15)7-10-16(19)18-11-3-4-14(12-18)17(20)21/h5-6,8-9,14H,2-4,7,10-12H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyWCURVRSHXFDZEK-CQSZACIVSA-N
XLogP2.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-ethoxyphenyl)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118652
(3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 81118292
1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 82255469
1-[3-(1-aminoethyl)piperidin-1-yl]-3-(4-ethoxyphenyl)propan-1-one;hydrochloride
CID 119594046
1-[3-(3,4-dimethylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 84613853
(3R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-3-carboxylic acid
CID 124576632
(2S,3S)-1-[3-(4-ethoxyphenyl)propanoyl]-2-methylpiperidine-3-carboxylic acid
CID 122115501
3-(4-ethoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
CID 112536917
(3S)-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 119173608
1-[3-(4-bromophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 43171031
(3S)-1-[3-(4-bromophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 81120736
1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 119167136

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(4-ethoxyphenyl)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[3-(4-ethoxyphenyl)propanoyl]piperidine-3-carboxylic acid (CID 124576550) is (3R)-1-[3-(4-ethoxyphenyl)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[3-(4-ethoxyphenyl)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[3-(4-ethoxyphenyl)propanoyl]piperidine-3-carboxylic acid is CCOc1ccc(CCC(=O)N2CCC[C@@H](C(=O)O)C2)cc1.
What is the InChIKey of (3R)-1-[3-(4-ethoxyphenyl)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is WCURVRSHXFDZEK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23NO4/c1-2-22-15-8-5-13(6-9-15)7-10-16(19)18-11-3-4-14(12-18)17(20)21/h5-6,8-9,14H,2-4,7,10-12H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (3R)-1-[3-(4-ethoxyphenyl)propanoyl]piperidine-3-carboxylic acid?
(3R)-1-[3-(4-ethoxyphenyl)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(4-ethoxyphenyl)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 124576550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).