3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-carboxylic acid

C16H22N2O3 — CID 107071187

IUPAC3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-carboxylic acid
SMILESCC(NC(=O)N1CCCC(C)C1C(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-11-7-6-10-18(14(11)15(19)20)16(21)17-12(2)13-8-4-3-5-9-13/h3-5,8-9,11-12,14H,6-7,10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyUDMWEBZICXDSEM-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.64
Rot. Bonds3

About 3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-carboxylic acid

3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-carboxylic acid (PubChem CID 107071187) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-carboxylic acid
PubChem CID107071187
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-carboxylic acid
SMILESCC(NC(=O)N1CCCC(C)C1C(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-11-7-6-10-18(14(11)15(19)20)16(21)17-12(2)13-8-4-3-5-9-13/h3-5,8-9,11-12,14H,6-7,10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyUDMWEBZICXDSEM-UHFFFAOYSA-N
XLogP2.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-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

3-methyl-1-[1-(5-methylfuran-2-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 107071464
2-[1-(1-phenylethylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61370169
3-methyl-1-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl]piperidine-2-carboxylic acid
CID 107071850
1-(but-3-en-2-ylcarbamoyl)-3-methylpiperidine-2-carboxylic acid
CID 107071884
3-methyl-1-(1-methylsulfinylpropan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 107071891
1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071445
ethyl (2R)-1-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate
CID 168891072
3-methyl-1-(pent-4-yn-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 107071880
3-methyl-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782082
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
3-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 107071231
3-methyl-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782763

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-carboxylic acid (CID 107071187) is 3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-carboxylic acid is CC(NC(=O)N1CCCC(C)C1C(=O)O)c1ccccc1.
What is the InChIKey of 3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-carboxylic acid?
The InChIKey is UDMWEBZICXDSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-7-6-10-18(14(11)15(19)20)16(21)17-12(2)13-8-4-3-5-9-13/h3-5,8-9,11-12,14H,6-7,10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-carboxylic acid?
3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 107071187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).