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

C16H21NO3 — CID 81118292

IUPAC(3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(CCC(=O)N2CCC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C16H21NO3/c1-12-4-6-13(7-5-12)8-9-15(18)17-10-2-3-14(11-17)16(19)20/h4-7,14H,2-3,8-11H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyHSEBMIABEWPJLU-CQSZACIVSA-N
MW275.35 g/mol
LogP2.25
Rot. Bonds4

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

(3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid (PubChem CID 81118292) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
PubChem CID81118292
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(CCC(=O)N2CCC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C16H21NO3/c1-12-4-6-13(7-5-12)8-9-15(18)17-10-2-3-14(11-17)16(19)20/h4-7,14H,2-3,8-11H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyHSEBMIABEWPJLU-CQSZACIVSA-N
XLogP2.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylate
CID 78919193
1-[3-(3,4-dimethylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 84613853
(3R)-1-[3-(4-ethoxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 124576550
(3R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-3-carboxylic acid
CID 124576632
(3S)-1-[5-(4-methylphenyl)pentanoyl]pyrrolidine-3-carboxylic acid
CID 124696647
(3S)-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 119173608
1-[3-(bromomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 80660782
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
(3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid
CID 119173609
1-[3-(5-methylfuran-2-yl)propanoyl]piperidine-3-carboxylic acid
CID 119167644
(3S)-1-[3-(4-chlorophenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124700361
1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid
CID 82255457

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid (CID 81118292) is (3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid is Cc1ccc(CCC(=O)N2CCC[C@@H](C(=O)O)C2)cc1.
What is the InChIKey of (3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is HSEBMIABEWPJLU-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12-4-6-13(7-5-12)8-9-15(18)17-10-2-3-14(11-17)16(19)20/h4-7,14H,2-3,8-11H2,1H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid?
(3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81118292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).