6-methyl-1-(2-methyl-5-phenylpentanoyl)piperidine-3-carboxylic acid

C19H27NO3 — CID 122112872

IUPAC6-methyl-1-(2-methyl-5-phenylpentanoyl)piperidine-3-carboxylic acid
SMILESCC(CCCc1ccccc1)C(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C19H27NO3/c1-14(7-6-10-16-8-4-3-5-9-16)18(21)20-13-17(19(22)23)12-11-15(20)2/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3,(H,22,23)
InChIKeyGNQQYQNORSAVSW-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.36
Rot. Bonds6

About 6-methyl-1-(2-methyl-5-phenylpentanoyl)piperidine-3-carboxylic acid

6-methyl-1-(2-methyl-5-phenylpentanoyl)piperidine-3-carboxylic acid (PubChem CID 122112872) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 6-methyl-1-(2-methyl-5-phenylpentanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-(2-methyl-5-phenylpentanoyl)piperidine-3-carboxylic acid
PubChem CID122112872
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name6-methyl-1-(2-methyl-5-phenylpentanoyl)piperidine-3-carboxylic acid
SMILESCC(CCCc1ccccc1)C(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C19H27NO3/c1-14(7-6-10-16-8-4-3-5-9-16)18(21)20-13-17(19(22)23)12-11-15(20)2/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3,(H,22,23)
InChIKeyGNQQYQNORSAVSW-UHFFFAOYSA-N
XLogP3.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-5-phenylpentanoyl)piperidine-4-carboxylic acid
CID 120512247
6-methyl-1-[(2R)-2-phenylpropanoyl]piperidine-3-carboxylic acid
CID 122112962
(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 169210694
4-methoxy-1-(2-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxylic acid
CID 120534377
1-[3-(3-bromo-4-fluorophenyl)-2-methylpropanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113084
1-[2-(2,6-difluorophenyl)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122112934
1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122083894
1-[(2R)-2-amino-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 78984554
1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid
CID 122112693
3-methyl-6-phenylhexan-2-one
CID 59396975
6-methyl-1-(2-pyridin-3-ylpropanoyl)piperidine-3-carboxylic acid
CID 122113209
6-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122083730

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-methyl-5-phenylpentanoyl)piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-(2-methyl-5-phenylpentanoyl)piperidine-3-carboxylic acid (CID 122112872) is 6-methyl-1-(2-methyl-5-phenylpentanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-(2-methyl-5-phenylpentanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-(2-methyl-5-phenylpentanoyl)piperidine-3-carboxylic acid is CC(CCCc1ccccc1)C(=O)N1CC(C(=O)O)CCC1C.
What is the InChIKey of 6-methyl-1-(2-methyl-5-phenylpentanoyl)piperidine-3-carboxylic acid?
The InChIKey is GNQQYQNORSAVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-14(7-6-10-16-8-4-3-5-9-16)18(21)20-13-17(19(22)23)12-11-15(20)2/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3,(H,22,23).
What are the key properties of 6-methyl-1-(2-methyl-5-phenylpentanoyl)piperidine-3-carboxylic acid?
6-methyl-1-(2-methyl-5-phenylpentanoyl)piperidine-3-carboxylic acid has a molecular weight of 317.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-methyl-5-phenylpentanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122112872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).