(2R)-1-[(2-methoxy-5-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxylic acid

C17H21N3O3 — CID 167938640

IUPAC(2R)-1-[(2-methoxy-5-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(-n2cccn2)cc1CN1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C17H21N3O3/c1-23-16-7-6-14(20-10-4-8-18-20)11-13(16)12-19-9-3-2-5-15(19)17(21)22/h4,6-8,10-11,15H,2-3,5,9,12H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyRTNMGSYYLSUNAX-OAHLLOKOSA-N
MW315.37 g/mol
LogP2.32
Rot. Bonds5

About (2R)-1-[(2-methoxy-5-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxylic acid

(2R)-1-[(2-methoxy-5-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 167938640) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (2R)-1-[(2-methoxy-5-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(2-methoxy-5-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID167938640
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(2R)-1-[(2-methoxy-5-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(-n2cccn2)cc1CN1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C17H21N3O3/c1-23-16-7-6-14(20-10-4-8-18-20)11-13(16)12-19-9-3-2-5-15(19)17(21)22/h4,6-8,10-11,15H,2-3,5,9,12H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyRTNMGSYYLSUNAX-OAHLLOKOSA-N
XLogP2.32
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5175119
1-[(2-methoxyphenyl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 45225109
1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid
CID 3567372
1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 45169050
1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122036450
1-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 4612609
(2S)-1-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]piperidine-2-carboxylic acid
CID 170294062
methyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027872
1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998216
1-[(4-methoxynaphthalen-2-yl)methyl]piperidine-2-carboxylic acid
CID 122040364
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122036642
1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone
CID 55257955

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-methoxy-5-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(2-methoxy-5-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxylic acid (CID 167938640) is (2R)-1-[(2-methoxy-5-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(2-methoxy-5-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(2-methoxy-5-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxylic acid is COc1ccc(-n2cccn2)cc1CN1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[(2-methoxy-5-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is RTNMGSYYLSUNAX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-23-16-7-6-14(20-10-4-8-18-20)11-13(16)12-19-9-3-2-5-15(19)17(21)22/h4,6-8,10-11,15H,2-3,5,9,12H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-1-[(2-methoxy-5-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxylic acid?
(2R)-1-[(2-methoxy-5-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-methoxy-5-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 167938640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).