(3S)-1-(2-methoxy-2-phenylpropanoyl)piperidine-3-carboxylic acid

C16H21NO4 — CID 119174314

IUPAC(3S)-1-(2-methoxy-2-phenylpropanoyl)piperidine-3-carboxylic acid
SMILESCOC(C)(C(=O)N1CCC[C@H](C(=O)O)C1)c1ccccc1
InChIInChI=1S/C16H21NO4/c1-16(21-2,13-8-4-3-5-9-13)15(20)17-10-6-7-12(11-17)14(18)19/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,18,19)/t12-,16?/m0/s1
InChIKeyVHULOBRLHQOJFP-HKALDPMFSA-N
MW291.35 g/mol
LogP1.87
Rot. Bonds4

About (3S)-1-(2-methoxy-2-phenylpropanoyl)piperidine-3-carboxylic acid

(3S)-1-(2-methoxy-2-phenylpropanoyl)piperidine-3-carboxylic acid (PubChem CID 119174314) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is (3S)-1-(2-methoxy-2-phenylpropanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(2-methoxy-2-phenylpropanoyl)piperidine-3-carboxylic acid
PubChem CID119174314
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name(3S)-1-(2-methoxy-2-phenylpropanoyl)piperidine-3-carboxylic acid
SMILESCOC(C)(C(=O)N1CCC[C@H](C(=O)O)C1)c1ccccc1
InChIInChI=1S/C16H21NO4/c1-16(21-2,13-8-4-3-5-9-13)15(20)17-10-6-7-12(11-17)14(18)19/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,18,19)/t12-,16?/m0/s1
InChIKeyVHULOBRLHQOJFP-HKALDPMFSA-N
XLogP1.87
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(2-methoxy-2-phenylpropanoyl)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxy-2-phenylpropanoyl)piperidine-3-carboxylic acid
CID 119167919
1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63031396
1-(2-methoxy-2,2-diphenylethyl)piperidine-3-carboxylic acid
CID 174416166
1-(2-methoxy-2-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119257583
(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 120684525
1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 103195275
2-methoxy-2-methyl-3-oxo-3-[3-(phenylcarbamoyl)piperidin-1-yl]propanoic acid
CID 146135967
1-[(2-methyl-2-phenylpentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122003412
2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one
CID 102957634
(3S)-1-[2-(3-tert-butylphenoxy)propanoyl]piperidine-3-carboxylic acid
CID 119174186
1-(3-amino-2,2,3-trimethylbutanoyl)piperidine-3-carboxylic acid
CID 65269823
(3S)-1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119137245

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxy-2-phenylpropanoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(2-methoxy-2-phenylpropanoyl)piperidine-3-carboxylic acid (CID 119174314) is (3S)-1-(2-methoxy-2-phenylpropanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(2-methoxy-2-phenylpropanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(2-methoxy-2-phenylpropanoyl)piperidine-3-carboxylic acid is COC(C)(C(=O)N1CCC[C@H](C(=O)O)C1)c1ccccc1.
What is the InChIKey of (3S)-1-(2-methoxy-2-phenylpropanoyl)piperidine-3-carboxylic acid?
The InChIKey is VHULOBRLHQOJFP-HKALDPMFSA-N. The full InChI is InChI=1S/C16H21NO4/c1-16(21-2,13-8-4-3-5-9-13)15(20)17-10-6-7-12(11-17)14(18)19/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,18,19)/t12-,16?/m0/s1.
What are the key properties of (3S)-1-(2-methoxy-2-phenylpropanoyl)piperidine-3-carboxylic acid?
(3S)-1-(2-methoxy-2-phenylpropanoyl)piperidine-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxy-2-phenylpropanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 119174314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).