1-[2-(methylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid

C16H22N2O3 — CID 62639706

IUPAC1-[2-(methylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid
SMILESCNC(C)C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C16H22N2O3/c1-12(17-2)14(19)18-10-8-16(9-11-18,15(20)21)13-6-4-3-5-7-13/h3-7,12,17H,8-11H2,1-2H3,(H,20,21)
InChIKeyXBQLPIMCFHJFPZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.24
Rot. Bonds4

About 1-[2-(methylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid

1-[2-(methylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid (PubChem CID 62639706) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[2-(methylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(methylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid
PubChem CID62639706
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[2-(methylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid
SMILESCNC(C)C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C16H22N2O3/c1-12(17-2)14(19)18-10-8-16(9-11-18,15(20)21)13-6-4-3-5-7-13/h3-7,12,17H,8-11H2,1-2H3,(H,20,21)
InChIKeyXBQLPIMCFHJFPZ-UHFFFAOYSA-N
XLogP1.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433322
1-(2-benzyl-3-methylbutanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168430
1-[3-(2-fluorophenyl)-2-methylpropanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168537
4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid
CID 45433205
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
1-[(2S)-2-but-3-enoxypropanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 97233581
1-(2-methylbut-2-enoyl)-4-phenylpiperidine-4-carboxylic acid
CID 91943939
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
1-acetyl-N-[(2R)-1-amino-1-oxopropan-2-yl]-4-phenylpiperidine-4-carboxamide
CID 97310746
4-phenyl-1-prop-2-ynoylpiperidine-4-carboxylic acid
CID 54982791
1-(2-methylsulfanylbenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433466
4-phenyl-1-(2-phenyl-2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid
CID 119168463

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(methylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid (CID 62639706) is 1-[2-(methylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(methylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(methylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid is CNC(C)C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 1-[2-(methylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is XBQLPIMCFHJFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(17-2)14(19)18-10-8-16(9-11-18,15(20)21)13-6-4-3-5-7-13/h3-7,12,17H,8-11H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-(methylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid?
1-[2-(methylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 62639706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).