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

C20H22N2O3 — CID 169210803

IUPAC(3R,6S)-6-methyl-1-[2-(4-pyridin-2-ylphenyl)acetyl]piperidine-3-carboxylic acid
SMILESC[C@H]1CC[C@@H](C(=O)O)CN1C(=O)Cc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C20H22N2O3/c1-14-5-8-17(20(24)25)13-22(14)19(23)12-15-6-9-16(10-7-15)18-4-2-3-11-21-18/h2-4,6-7,9-11,14,17H,5,8,12-13H2,1H3,(H,24,25)/t14-,17+/m0/s1
InChIKeyKOUWULKDLHVEMC-WMLDXEAASA-N
MW338.41 g/mol
LogP3.00
Rot. Bonds4

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

(3R,6S)-6-methyl-1-[2-(4-pyridin-2-ylphenyl)acetyl]piperidine-3-carboxylic acid (PubChem CID 169210803) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3R,6S)-6-methyl-1-[2-(4-pyridin-2-ylphenyl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,6S)-6-methyl-1-[2-(4-pyridin-2-ylphenyl)acetyl]piperidine-3-carboxylic acid
PubChem CID169210803
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(3R,6S)-6-methyl-1-[2-(4-pyridin-2-ylphenyl)acetyl]piperidine-3-carboxylic acid
SMILESC[C@H]1CC[C@@H](C(=O)O)CN1C(=O)Cc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C20H22N2O3/c1-14-5-8-17(20(24)25)13-22(14)19(23)12-15-6-9-16(10-7-15)18-4-2-3-11-21-18/h2-4,6-7,9-11,14,17H,5,8,12-13H2,1H3,(H,24,25)/t14-,17+/m0/s1
InChIKeyKOUWULKDLHVEMC-WMLDXEAASA-N
XLogP3.00
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 169210694
(3R,6S)-6-methyl-1-[2-[4-(4-pyridin-3-ylphenyl)phenyl]acetyl]piperidine-3-carboxylic acid
CID 169210792
1-[2-(3,4-difluorophenyl)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122083685
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
6-methyl-1-(3-naphthalen-2-ylpropanoyl)piperidine-3-carboxylic acid
CID 122113865
(3R,6S)-1-[2-(4-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 94200570
1-(3-amino-2-phenylpyridine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112704
2-(4-pyridin-2-ylphenyl)acetamide
CID 57447645
methyl (3R,6S)-6-methyl-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxylate
CID 169210710
1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone
CID 176809674
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-pyridin-2-ylphenyl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R,6S)-6-methyl-1-[2-(4-pyridin-2-ylphenyl)acetyl]piperidine-3-carboxylic acid (CID 169210803) is (3R,6S)-6-methyl-1-[2-(4-pyridin-2-ylphenyl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,6S)-6-methyl-1-[2-(4-pyridin-2-ylphenyl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R,6S)-6-methyl-1-[2-(4-pyridin-2-ylphenyl)acetyl]piperidine-3-carboxylic acid is C[C@H]1CC[C@@H](C(=O)O)CN1C(=O)Cc1ccc(-c2ccccn2)cc1.
What is the InChIKey of (3R,6S)-6-methyl-1-[2-(4-pyridin-2-ylphenyl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is KOUWULKDLHVEMC-WMLDXEAASA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-5-8-17(20(24)25)13-22(14)19(23)12-15-6-9-16(10-7-15)18-4-2-3-11-21-18/h2-4,6-7,9-11,14,17H,5,8,12-13H2,1H3,(H,24,25)/t14-,17+/m0/s1.
What are the key properties of (3R,6S)-6-methyl-1-[2-(4-pyridin-2-ylphenyl)acetyl]piperidine-3-carboxylic acid?
(3R,6S)-6-methyl-1-[2-(4-pyridin-2-ylphenyl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 338.41 g/mol, XLogP of 3.00, 4 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-pyridin-2-ylphenyl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 169210803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).