1-[naphthalen-1-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid

C26H24N2O2 — CID 3875881

IUPAC1-[naphthalen-1-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(c2ccc3ccccc3n2)c2cccc3ccccc23)CC1
InChIInChI=1S/C26H24N2O2/c29-26(30)20-14-16-28(17-15-20)25(22-10-5-8-18-6-1-3-9-21(18)22)24-13-12-19-7-2-4-11-23(19)27-24/h1-13,20,25H,14-17H2,(H,29,30)
InChIKeyXBGYMIYBBVFOFS-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.27
Rot. Bonds4

About 1-[naphthalen-1-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid

1-[naphthalen-1-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 3875881) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[naphthalen-1-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[naphthalen-1-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid
PubChem CID3875881
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name1-[naphthalen-1-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(c2ccc3ccccc3n2)c2cccc3ccccc23)CC1
InChIInChI=1S/C26H24N2O2/c29-26(30)20-14-16-28(17-15-20)25(22-10-5-8-18-6-1-3-9-21(18)22)24-13-12-19-7-2-4-11-23(19)27-24/h1-13,20,25H,14-17H2,(H,29,30)
InChIKeyXBGYMIYBBVFOFS-UHFFFAOYSA-N
XLogP5.27
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[pyridin-2-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid
CID 3667870
1-[naphthalen-1-yl(quinolin-3-yl)methyl]piperidine-4-carboxylic acid
CID 4602608
1-[quinolin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 3681831
1-[quinolin-2-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3995629
1-[(3,4-dichlorophenyl)-naphthalen-1-ylmethyl]piperidine-4-carboxylic acid
CID 3912744
1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
CID 155289856
1-[isoquinolin-6-yl(naphthalen-1-yl)methyl]piperidine-4-carboxylic acid
CID 4542051
1-[(2-methylphenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid
CID 3264947
1-[(3-ethoxy-4-methoxyphenyl)-naphthalen-1-ylmethyl]piperidine-4-carboxylic acid
CID 3359268
1-[(2,3-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid
CID 3949062
1-[1,3-benzothiazol-2-yl-(2-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 3958005
1-[bis(2-bromophenyl)methyl]piperidine-4-carboxylic acid
CID 4285852

Frequently Asked Questions

What is the IUPAC name of 1-[naphthalen-1-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[naphthalen-1-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid (CID 3875881) is 1-[naphthalen-1-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[naphthalen-1-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[naphthalen-1-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(c2ccc3ccccc3n2)c2cccc3ccccc23)CC1.
What is the InChIKey of 1-[naphthalen-1-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is XBGYMIYBBVFOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c29-26(30)20-14-16-28(17-15-20)25(22-10-5-8-18-6-1-3-9-21(18)22)24-13-12-19-7-2-4-11-23(19)27-24/h1-13,20,25H,14-17H2,(H,29,30).
What are the key properties of 1-[naphthalen-1-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid?
1-[naphthalen-1-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 396.49 g/mol, XLogP of 5.27, 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(quinolin-2-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3875881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).