1-[(3-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid

C23H24N2O2 — CID 3631451

IUPAC1-[(3-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid
SMILESCc1cccnc1C(c1cccc2ccccc12)N1CCCC(C(=O)O)C1
InChIInChI=1S/C23H24N2O2/c1-16-7-5-13-24-21(16)22(25-14-6-10-18(15-25)23(26)27)20-12-4-9-17-8-2-3-11-19(17)20/h2-5,7-9,11-13,18,22H,6,10,14-15H2,1H3,(H,26,27)
InChIKeyHNBLVKWYXQQBEC-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.43
Rot. Bonds4

About 1-[(3-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid

1-[(3-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid (PubChem CID 3631451) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[(3-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid
PubChem CID3631451
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name1-[(3-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid
SMILESCc1cccnc1C(c1cccc2ccccc12)N1CCCC(C(=O)O)C1
InChIInChI=1S/C23H24N2O2/c1-16-7-5-13-24-21(16)22(25-14-6-10-18(15-25)23(26)27)20-12-4-9-17-8-2-3-11-19(17)20/h2-5,7-9,11-13,18,22H,6,10,14-15H2,1H3,(H,26,27)
InChIKeyHNBLVKWYXQQBEC-UHFFFAOYSA-N
XLogP4.43
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 3884139
1-[(3-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 3494421
1-[naphthalen-1-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 5157264
1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 3630163
1-[(3-methyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 5026300
1-[(4-methylsulfanylphenyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid
CID 3663021
1-[naphthalen-1-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 4288267
1-[(3-ethoxy-4-phenylmethoxyphenyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid
CID 4992968
1-[pyridin-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 5201610
1-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 3568468
1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 4566862
1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid
CID 3536798

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid (CID 3631451) is 1-[(3-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid is Cc1cccnc1C(c1cccc2ccccc12)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(3-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid?
The InChIKey is HNBLVKWYXQQBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-16-7-5-13-24-21(16)22(25-14-6-10-18(15-25)23(26)27)20-12-4-9-17-8-2-3-11-19(17)20/h2-5,7-9,11-13,18,22H,6,10,14-15H2,1H3,(H,26,27).
What are the key properties of 1-[(3-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid?
1-[(3-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid has a molecular weight of 360.46 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 3631451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).