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

C30H29NO3 — CID 3964212

IUPAC1-[naphthalen-2-yl-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(c2ccc3ccccc3c2)c2ccccc2OCc2ccccc2)CC1
InChIInChI=1S/C30H29NO3/c32-30(33)24-16-18-31(19-17-24)29(26-15-14-23-10-4-5-11-25(23)20-26)27-12-6-7-13-28(27)34-21-22-8-2-1-3-9-22/h1-15,20,24,29H,16-19,21H2,(H,32,33)
InChIKeyNUAZZFWQENUTLE-UHFFFAOYSA-N
MW451.57 g/mol
LogP6.30
Rot. Bonds7

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

1-[naphthalen-2-yl-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 3964212) has the molecular formula C30H29NO3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 1-[naphthalen-2-yl-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[naphthalen-2-yl-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
PubChem CID3964212
Molecular FormulaC30H29NO3
Molecular Weight451.57 g/mol
Exact Mass451.21
IUPAC Name1-[naphthalen-2-yl-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(c2ccc3ccccc3c2)c2ccccc2OCc2ccccc2)CC1
InChIInChI=1S/C30H29NO3/c32-30(33)24-16-18-31(19-17-24)29(26-15-14-23-10-4-5-11-25(23)20-26)27-12-6-7-13-28(27)34-21-22-8-2-1-3-9-22/h1-15,20,24,29H,16-19,21H2,(H,32,33)
InChIKeyNUAZZFWQENUTLE-UHFFFAOYSA-N
XLogP6.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-ethoxy-4-phenylmethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid
CID 3643128
1-[(4-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3526557
1-[(4-methylphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4034310
1-[(2-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 3968285
1-[(3-ethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid
CID 3895314
1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4611423
1-[(2,4-difluorophenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid
CID 5029274
1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5161251
1-[phenyl-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4267257
1-[1,3-benzodioxol-5-yl-(2-ethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4035445
1-[(3,4-dimethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4283453
1-[(3-phenylmethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 3676812

Frequently Asked Questions

What is the IUPAC name of 1-[naphthalen-2-yl-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[naphthalen-2-yl-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid (CID 3964212) is 1-[naphthalen-2-yl-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[naphthalen-2-yl-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[naphthalen-2-yl-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(c2ccc3ccccc3c2)c2ccccc2OCc2ccccc2)CC1.
What is the InChIKey of 1-[naphthalen-2-yl-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is NUAZZFWQENUTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO3/c32-30(33)24-16-18-31(19-17-24)29(26-15-14-23-10-4-5-11-25(23)20-26)27-12-6-7-13-28(27)34-21-22-8-2-1-3-9-22/h1-15,20,24,29H,16-19,21H2,(H,32,33).
What are the key properties of 1-[naphthalen-2-yl-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid?
1-[naphthalen-2-yl-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 451.57 g/mol, XLogP of 6.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[naphthalen-2-yl-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3964212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).