(3R,6S)-6-methyl-1-[2-[4-(4-pyridin-3-ylphenyl)phenyl]acetyl]piperidine-3-carboxylic acid

C26H26N2O3 — CID 169210792

IUPAC(3R,6S)-6-methyl-1-[2-[4-(4-pyridin-3-ylphenyl)phenyl]acetyl]piperidine-3-carboxylic acid
SMILESC[C@H]1CC[C@@H](C(=O)O)CN1C(=O)Cc1ccc(-c2ccc(-c3cccnc3)cc2)cc1
InChIInChI=1S/C26H26N2O3/c1-18-4-7-24(26(30)31)17-28(18)25(29)15-19-5-8-20(9-6-19)21-10-12-22(13-11-21)23-3-2-14-27-16-23/h2-3,5-6,8-14,16,18,24H,4,7,15,17H2,1H3,(H,30,31)/t18-,24+/m0/s1
InChIKeySQNNROZOMNFPRE-MHECFPHRSA-N
MW414.51 g/mol
LogP4.67
Rot. Bonds5

About (3R,6S)-6-methyl-1-[2-[4-(4-pyridin-3-ylphenyl)phenyl]acetyl]piperidine-3-carboxylic acid

(3R,6S)-6-methyl-1-[2-[4-(4-pyridin-3-ylphenyl)phenyl]acetyl]piperidine-3-carboxylic acid (PubChem CID 169210792) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is (3R,6S)-6-methyl-1-[2-[4-(4-pyridin-3-ylphenyl)phenyl]acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,6S)-6-methyl-1-[2-[4-(4-pyridin-3-ylphenyl)phenyl]acetyl]piperidine-3-carboxylic acid
PubChem CID169210792
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name(3R,6S)-6-methyl-1-[2-[4-(4-pyridin-3-ylphenyl)phenyl]acetyl]piperidine-3-carboxylic acid
SMILESC[C@H]1CC[C@@H](C(=O)O)CN1C(=O)Cc1ccc(-c2ccc(-c3cccnc3)cc2)cc1
InChIInChI=1S/C26H26N2O3/c1-18-4-7-24(26(30)31)17-28(18)25(29)15-19-5-8-20(9-6-19)21-10-12-22(13-11-21)23-3-2-14-27-16-23/h2-3,5-6,8-14,16,18,24H,4,7,15,17H2,1H3,(H,30,31)/t18-,24+/m0/s1
InChIKeySQNNROZOMNFPRE-MHECFPHRSA-N
XLogP4.67
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,6S)-6-methyl-1-[2-[4-(4-pyridin-3-ylphenyl)phenyl]acetyl]piperidine-3-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

(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 169210694
(3R,6S)-6-methyl-1-[2-(4-pyridin-2-ylphenyl)acetyl]piperidine-3-carboxylic acid
CID 169210803
methyl (3R,6S)-6-methyl-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxylate
CID 169210710
1-[2-(3,4-difluorophenyl)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122083685
6-methyl-1-(2-pyridin-3-ylpropanoyl)piperidine-3-carboxylic acid
CID 122113209
1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone
CID 176809674
6-methyl-1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid
CID 122083935
6-methyl-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 122112816
1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid
CID 45429214
6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylic acid
CID 122083302
6-methyl-1-(3-naphthalen-2-ylpropanoyl)piperidine-3-carboxylic acid
CID 122113865
6-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid
CID 122114200

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-methyl-1-[2-[4-(4-pyridin-3-ylphenyl)phenyl]acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R,6S)-6-methyl-1-[2-[4-(4-pyridin-3-ylphenyl)phenyl]acetyl]piperidine-3-carboxylic acid (CID 169210792) is (3R,6S)-6-methyl-1-[2-[4-(4-pyridin-3-ylphenyl)phenyl]acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,6S)-6-methyl-1-[2-[4-(4-pyridin-3-ylphenyl)phenyl]acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R,6S)-6-methyl-1-[2-[4-(4-pyridin-3-ylphenyl)phenyl]acetyl]piperidine-3-carboxylic acid is C[C@H]1CC[C@@H](C(=O)O)CN1C(=O)Cc1ccc(-c2ccc(-c3cccnc3)cc2)cc1.
What is the InChIKey of (3R,6S)-6-methyl-1-[2-[4-(4-pyridin-3-ylphenyl)phenyl]acetyl]piperidine-3-carboxylic acid?
The InChIKey is SQNNROZOMNFPRE-MHECFPHRSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-18-4-7-24(26(30)31)17-28(18)25(29)15-19-5-8-20(9-6-19)21-10-12-22(13-11-21)23-3-2-14-27-16-23/h2-3,5-6,8-14,16,18,24H,4,7,15,17H2,1H3,(H,30,31)/t18-,24+/m0/s1.
What are the key properties of (3R,6S)-6-methyl-1-[2-[4-(4-pyridin-3-ylphenyl)phenyl]acetyl]piperidine-3-carboxylic acid?
(3R,6S)-6-methyl-1-[2-[4-(4-pyridin-3-ylphenyl)phenyl]acetyl]piperidine-3-carboxylic acid has a molecular weight of 414.51 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-methyl-1-[2-[4-(4-pyridin-3-ylphenyl)phenyl]acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 169210792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).