(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid

C15H19NO3 — CID 169210694

IUPAC(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid
SMILESC[C@H]1CC[C@@H](C(=O)O)CN1C(=O)Cc1ccccc1
InChIInChI=1S/C15H19NO3/c1-11-7-8-13(15(18)19)10-16(11)14(17)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,18,19)/t11-,13+/m0/s1
InChIKeyXZOWSMLXOKSHEP-WCQYABFASA-N
MW261.32 g/mol
LogP1.94
Rot. Bonds3

About (3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid

(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid (PubChem CID 169210694) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid
PubChem CID169210694
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid
SMILESC[C@H]1CC[C@@H](C(=O)O)CN1C(=O)Cc1ccccc1
InChIInChI=1S/C15H19NO3/c1-11-7-8-13(15(18)19)10-16(11)14(17)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,18,19)/t11-,13+/m0/s1
InChIKeyXZOWSMLXOKSHEP-WCQYABFASA-N
XLogP1.94
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,6S)-6-methyl-1-[2-(4-pyridin-2-ylphenyl)acetyl]piperidine-3-carboxylic acid
CID 169210803
6-methyl-1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid
CID 122083935
1-[2-(3,4-difluorophenyl)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122083685
(3R,6S)-6-methyl-1-[2-[4-(4-pyridin-3-ylphenyl)phenyl]acetyl]piperidine-3-carboxylic acid
CID 169210792
6-methyl-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 122112816
6-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122083730
6-methyl-1-(3-naphthalen-2-ylpropanoyl)piperidine-3-carboxylic acid
CID 122113865
1-[3-[[benzyl(methyl)carbamoyl]amino]propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113705
(3R,6S)-1-[2-(4-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 94200570
6-methyl-1-(2-methyl-5-phenylpentanoyl)piperidine-3-carboxylic acid
CID 122112872
1-[2-(2-chloro-4-fluorophenyl)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122113095
(3R,6S)-1-[2-(3-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 95313879

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid (CID 169210694) is (3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid is C[C@H]1CC[C@@H](C(=O)O)CN1C(=O)Cc1ccccc1.
What is the InChIKey of (3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid?
The InChIKey is XZOWSMLXOKSHEP-WCQYABFASA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-7-8-13(15(18)19)10-16(11)14(17)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,18,19)/t11-,13+/m0/s1.
What are the key properties of (3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid?
(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 169210694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).