1-[(4-methoxynaphthalen-1-yl)methyl]-5-methylpiperidine-3-carboxylic acid

C19H23NO3 — CID 122125443

IUPAC1-[(4-methoxynaphthalen-1-yl)methyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1ccc(CN2CC(C)CC(C(=O)O)C2)c2ccccc12
InChIInChI=1S/C19H23NO3/c1-13-9-15(19(21)22)12-20(10-13)11-14-7-8-18(23-2)17-6-4-3-5-16(14)17/h3-8,13,15H,9-12H2,1-2H3,(H,21,22)
InChIKeyFCWHDEAVWWUNHZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.39
Rot. Bonds4

About 1-[(4-methoxynaphthalen-1-yl)methyl]-5-methylpiperidine-3-carboxylic acid

1-[(4-methoxynaphthalen-1-yl)methyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122125443) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[(4-methoxynaphthalen-1-yl)methyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxynaphthalen-1-yl)methyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122125443
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name1-[(4-methoxynaphthalen-1-yl)methyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1ccc(CN2CC(C)CC(C(=O)O)C2)c2ccccc12
InChIInChI=1S/C19H23NO3/c1-13-9-15(19(21)22)12-20(10-13)11-14-7-8-18(23-2)17-6-4-3-5-16(14)17/h3-8,13,15H,9-12H2,1-2H3,(H,21,22)
InChIKeyFCWHDEAVWWUNHZ-UHFFFAOYSA-N
XLogP3.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-methoxynaphthalen-1-yl)methyl]-5-methylpiperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-methoxynaphthalen-2-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125111
1-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122121437
1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone
CID 135293907
4-[(4-methoxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509661
1-(2,2-diphenylethyl)-5-methylpiperidine-3-carboxylic acid
CID 122125184
1-[4-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]phenyl]ethanone
CID 1378287
1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-amine
CID 67702775
1-[(2-bromo-5-chloro-4-methylphenyl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125116
1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121860
1-(2,6-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122117578
1-[[2-(difluoromethoxy)-5-nitrophenyl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125433
1-[2-(4-methoxyphenoxy)ethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121719

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxynaphthalen-1-yl)methyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-methoxynaphthalen-1-yl)methyl]-5-methylpiperidine-3-carboxylic acid (CID 122125443) is 1-[(4-methoxynaphthalen-1-yl)methyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxynaphthalen-1-yl)methyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-methoxynaphthalen-1-yl)methyl]-5-methylpiperidine-3-carboxylic acid is COc1ccc(CN2CC(C)CC(C(=O)O)C2)c2ccccc12.
What is the InChIKey of 1-[(4-methoxynaphthalen-1-yl)methyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is FCWHDEAVWWUNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13-9-15(19(21)22)12-20(10-13)11-14-7-8-18(23-2)17-6-4-3-5-16(14)17/h3-8,13,15H,9-12H2,1-2H3,(H,21,22).
What are the key properties of 1-[(4-methoxynaphthalen-1-yl)methyl]-5-methylpiperidine-3-carboxylic acid?
1-[(4-methoxynaphthalen-1-yl)methyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 313.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxynaphthalen-1-yl)methyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122125443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).