1-[3-(4-hydroxyphenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid

C16H21NO4 — CID 167778785

IUPAC1-[3-(4-hydroxyphenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)CCc2ccc(O)cc2)C(C(=O)O)C1
InChIInChI=1S/C16H21NO4/c1-11-8-9-17(14(10-11)16(20)21)15(19)7-4-12-2-5-13(18)6-3-12/h2-3,5-6,11,14,18H,4,7-10H2,1H3,(H,20,21)
InChIKeyBRWJUHGPVZOBKK-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.04
Rot. Bonds4

About 1-[3-(4-hydroxyphenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid

1-[3-(4-hydroxyphenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 167778785) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[3-(4-hydroxyphenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-hydroxyphenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID167778785
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-[3-(4-hydroxyphenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)CCc2ccc(O)cc2)C(C(=O)O)C1
InChIInChI=1S/C16H21NO4/c1-11-8-9-17(14(10-11)16(20)21)15(19)7-4-12-2-5-13(18)6-3-12/h2-3,5-6,11,14,18H,4,7-10H2,1H3,(H,20,21)
InChIKeyBRWJUHGPVZOBKK-UHFFFAOYSA-N
XLogP2.04
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[3-(4-methylphenyl)propanoyl]piperidine-2-carboxylic acid
CID 114421761
1-[3-(3-bromophenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid
CID 114421829
4-methyl-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 114421990
1-[2-(4-aminophenyl)acetyl]-4-methylpiperidine-2-carboxylic acid
CID 115867440
1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidine-2-carboxylic acid
CID 114421350
1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 115867436
1-hexanoyl-4-methylpiperidine-2-carboxylic acid
CID 114421742
(2S)-1-[3-(4-ethylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 61136304
1-(3-cyclopentylpropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421123
1-(3-phenylpropanoyl)-4-pyrrolidin-1-ylpiperidine-2-carboxylic acid
CID 131653797
4-methyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid
CID 114421768
1-[2-[2-(aminomethyl)phenyl]acetyl]-4-methylpiperidine-2-carboxylic acid
CID 115867427

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-hydroxyphenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[3-(4-hydroxyphenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid (CID 167778785) is 1-[3-(4-hydroxyphenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(4-hydroxyphenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(4-hydroxyphenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)CCc2ccc(O)cc2)C(C(=O)O)C1.
What is the InChIKey of 1-[3-(4-hydroxyphenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is BRWJUHGPVZOBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11-8-9-17(14(10-11)16(20)21)15(19)7-4-12-2-5-13(18)6-3-12/h2-3,5-6,11,14,18H,4,7-10H2,1H3,(H,20,21).
What are the key properties of 1-[3-(4-hydroxyphenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid?
1-[3-(4-hydroxyphenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-hydroxyphenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 167778785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).