1-[(5-ethyl-2-pyridinyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid

C21H26N2O2 — CID 3978336

IUPAC1-[(5-ethyl-2-pyridinyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCCc1ccc(C(c2cccc(C)c2)N2CCCCC2C(=O)O)nc1
InChIInChI=1S/C21H26N2O2/c1-3-16-10-11-18(22-14-16)20(17-8-6-7-15(2)13-17)23-12-5-4-9-19(23)21(24)25/h6-8,10-11,13-14,19-20H,3-5,9,12H2,1-2H3,(H,24,25)
InChIKeyWPLXZDZXBZMCCU-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.98
Rot. Bonds5

About 1-[(5-ethyl-2-pyridinyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid

1-[(5-ethyl-2-pyridinyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 3978336) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[(5-ethyl-2-pyridinyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-ethyl-2-pyridinyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID3978336
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-[(5-ethyl-2-pyridinyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCCc1ccc(C(c2cccc(C)c2)N2CCCCC2C(=O)O)nc1
InChIInChI=1S/C21H26N2O2/c1-3-16-10-11-18(22-14-16)20(17-8-6-7-15(2)13-17)23-12-5-4-9-19(23)21(24)25/h6-8,10-11,13-14,19-20H,3-5,9,12H2,1-2H3,(H,24,25)
InChIKeyWPLXZDZXBZMCCU-UHFFFAOYSA-N
XLogP3.98
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

1-[(3-chlorophenyl)-(5-ethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 3349109
1-[(4-ethylphenyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 4307687
1-[(5-ethyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid
CID 4261190
1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid
CID 5125163
1-[(5-ethyl-2-pyridinyl)-naphthalen-1-ylmethyl]pyrrolidine-2-carboxylic acid
CID 4042220
1-[(5-methyl-2-pyridinyl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3507995
1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 3442672
1-[(4-ethylphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 4011103
1-[(2-bromophenyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 4645685
1-[(3,4-dichlorophenyl)-(3-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4591152
1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 4529678
1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid
CID 5233551

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-2-pyridinyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(5-ethyl-2-pyridinyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid (CID 3978336) is 1-[(5-ethyl-2-pyridinyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(5-ethyl-2-pyridinyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(5-ethyl-2-pyridinyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid is CCc1ccc(C(c2cccc(C)c2)N2CCCCC2C(=O)O)nc1.
What is the InChIKey of 1-[(5-ethyl-2-pyridinyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is WPLXZDZXBZMCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-16-10-11-18(22-14-16)20(17-8-6-7-15(2)13-17)23-12-5-4-9-19(23)21(24)25/h6-8,10-11,13-14,19-20H,3-5,9,12H2,1-2H3,(H,24,25).
What are the key properties of 1-[(5-ethyl-2-pyridinyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid?
1-[(5-ethyl-2-pyridinyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 338.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-2-pyridinyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 3978336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).