(2R,3S,6R)-1-acetyl-3-methyl-3,6-diphenylpiperidine-2-carboxylic acid

C21H23NO3 — CID 139197855

IUPAC(2R,3S,6R)-1-acetyl-3-methyl-3,6-diphenylpiperidine-2-carboxylic acid
SMILESCC(=O)N1[C@@H](c2ccccc2)CC[C@@](C)(c2ccccc2)[C@@H]1C(=O)O
InChIInChI=1S/C21H23NO3/c1-15(23)22-18(16-9-5-3-6-10-16)13-14-21(2,19(22)20(24)25)17-11-7-4-8-12-17/h3-12,18-19H,13-14H2,1-2H3,(H,24,25)/t18-,19+,21+/m1/s1
InChIKeyKPIRBGVWPRXMRG-DYXWJJEUSA-N
MW337.42 g/mol
LogP3.78
Rot. Bonds3

About (2R,3S,6R)-1-acetyl-3-methyl-3,6-diphenylpiperidine-2-carboxylic acid

(2R,3S,6R)-1-acetyl-3-methyl-3,6-diphenylpiperidine-2-carboxylic acid (PubChem CID 139197855) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2R,3S,6R)-1-acetyl-3-methyl-3,6-diphenylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S,6R)-1-acetyl-3-methyl-3,6-diphenylpiperidine-2-carboxylic acid
PubChem CID139197855
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name(2R,3S,6R)-1-acetyl-3-methyl-3,6-diphenylpiperidine-2-carboxylic acid
SMILESCC(=O)N1[C@@H](c2ccccc2)CC[C@@](C)(c2ccccc2)[C@@H]1C(=O)O
InChIInChI=1S/C21H23NO3/c1-15(23)22-18(16-9-5-3-6-10-16)13-14-21(2,19(22)20(24)25)17-11-7-4-8-12-17/h3-12,18-19H,13-14H2,1-2H3,(H,24,25)/t18-,19+,21+/m1/s1
InChIKeyKPIRBGVWPRXMRG-DYXWJJEUSA-N
XLogP3.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R)-1-acetyl-3-methyl-3,6-diphenylpiperidine-2-carboxylic acid?
The IUPAC name of (2R,3S,6R)-1-acetyl-3-methyl-3,6-diphenylpiperidine-2-carboxylic acid (CID 139197855) is (2R,3S,6R)-1-acetyl-3-methyl-3,6-diphenylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2R,3S,6R)-1-acetyl-3-methyl-3,6-diphenylpiperidine-2-carboxylic acid?
The canonical SMILES for (2R,3S,6R)-1-acetyl-3-methyl-3,6-diphenylpiperidine-2-carboxylic acid is CC(=O)N1[C@@H](c2ccccc2)CC[C@@](C)(c2ccccc2)[C@@H]1C(=O)O.
What is the InChIKey of (2R,3S,6R)-1-acetyl-3-methyl-3,6-diphenylpiperidine-2-carboxylic acid?
The InChIKey is KPIRBGVWPRXMRG-DYXWJJEUSA-N. The full InChI is InChI=1S/C21H23NO3/c1-15(23)22-18(16-9-5-3-6-10-16)13-14-21(2,19(22)20(24)25)17-11-7-4-8-12-17/h3-12,18-19H,13-14H2,1-2H3,(H,24,25)/t18-,19+,21+/m1/s1.
What are the key properties of (2R,3S,6R)-1-acetyl-3-methyl-3,6-diphenylpiperidine-2-carboxylic acid?
(2R,3S,6R)-1-acetyl-3-methyl-3,6-diphenylpiperidine-2-carboxylic acid has a molecular weight of 337.42 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-1-acetyl-3-methyl-3,6-diphenylpiperidine-2-carboxylic acid is sourced from PubChem (CID 139197855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).