1-[naphthalen-1-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid

C22H22N2O2 — CID 5157264

IUPAC1-[naphthalen-1-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(c2cccnc2)c2cccc3ccccc23)C1
InChIInChI=1S/C22H22N2O2/c25-22(26)18-9-5-13-24(15-18)21(17-8-4-12-23-14-17)20-11-3-7-16-6-1-2-10-19(16)20/h1-4,6-8,10-12,14,18,21H,5,9,13,15H2,(H,25,26)
InChIKeyUNFFKVLMTPAKQX-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.12
Rot. Bonds4

About 1-[naphthalen-1-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid

1-[naphthalen-1-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 5157264) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[naphthalen-1-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[naphthalen-1-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
PubChem CID5157264
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name1-[naphthalen-1-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(c2cccnc2)c2cccc3ccccc23)C1
InChIInChI=1S/C22H22N2O2/c25-22(26)18-9-5-13-24(15-18)21(17-8-4-12-23-14-17)20-11-3-7-16-6-1-2-10-19(16)20/h1-4,6-8,10-12,14,18,21H,5,9,13,15H2,(H,25,26)
InChIKeyUNFFKVLMTPAKQX-UHFFFAOYSA-N
XLogP4.12
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[naphthalen-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 4562345
1-[(3-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid
CID 3631451
1-[(4-bromophenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 3920977
1-[(4-propan-2-ylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 5009193
1-[pyridin-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 5201610
1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 4013318
1-[naphthalen-1-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 4288267
1-[(4-methylsulfanylphenyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid
CID 3663021
1-[furan-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 3632610
1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid
CID 3536798
1-[(5-fluoro-2-methoxyphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 3942168
1-[isoquinolin-6-yl(naphthalen-1-yl)methyl]piperidine-4-carboxylic acid
CID 4542051

Frequently Asked Questions

What is the IUPAC name of 1-[naphthalen-1-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[naphthalen-1-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid (CID 5157264) is 1-[naphthalen-1-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[naphthalen-1-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[naphthalen-1-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(c2cccnc2)c2cccc3ccccc23)C1.
What is the InChIKey of 1-[naphthalen-1-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is UNFFKVLMTPAKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-22(26)18-9-5-13-24(15-18)21(17-8-4-12-23-14-17)20-11-3-7-16-6-1-2-10-19(16)20/h1-4,6-8,10-12,14,18,21H,5,9,13,15H2,(H,25,26).
What are the key properties of 1-[naphthalen-1-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid?
1-[naphthalen-1-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[naphthalen-1-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 5157264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).