1-(2-naphthalen-1-yloxyacetyl)-4-phenylpiperidine-4-carboxylic acid

C24H23NO4 — CID 45433455

IUPAC1-(2-naphthalen-1-yloxyacetyl)-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(COc1cccc2ccccc12)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C24H23NO4/c26-22(17-29-21-12-6-8-18-7-4-5-11-20(18)21)25-15-13-24(14-16-25,23(27)28)19-9-2-1-3-10-19/h1-12H,13-17H2,(H,27,28)
InChIKeyIIBGZILMAWDBJY-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.86
Rot. Bonds5

About 1-(2-naphthalen-1-yloxyacetyl)-4-phenylpiperidine-4-carboxylic acid

1-(2-naphthalen-1-yloxyacetyl)-4-phenylpiperidine-4-carboxylic acid (PubChem CID 45433455) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 1-(2-naphthalen-1-yloxyacetyl)-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-naphthalen-1-yloxyacetyl)-4-phenylpiperidine-4-carboxylic acid
PubChem CID45433455
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name1-(2-naphthalen-1-yloxyacetyl)-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(COc1cccc2ccccc12)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C24H23NO4/c26-22(17-29-21-12-6-8-18-7-4-5-11-20(18)21)25-15-13-24(14-16-25,23(27)28)19-9-2-1-3-10-19/h1-12H,13-17H2,(H,27,28)
InChIKeyIIBGZILMAWDBJY-UHFFFAOYSA-N
XLogP3.86
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid
CID 2050442
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
4-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid
CID 2050449
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
4-phenyl-1-[2-(2-phenylethoxy)acetyl]piperidine-4-carboxylic acid
CID 119168410
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-naphthalen-1-yloxyethanone
CID 112823841
1-(2-butoxyacetyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168313
1-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-naphthalen-1-yloxyethanone
CID 39977224
1-[2-(1-oxophthalazin-2-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168317
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride
CID 120815312
3-(4-methoxyphenyl)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one
CID 112823833
1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 22240695

Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-1-yloxyacetyl)-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-naphthalen-1-yloxyacetyl)-4-phenylpiperidine-4-carboxylic acid (CID 45433455) is 1-(2-naphthalen-1-yloxyacetyl)-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-naphthalen-1-yloxyacetyl)-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-naphthalen-1-yloxyacetyl)-4-phenylpiperidine-4-carboxylic acid is O=C(COc1cccc2ccccc12)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 1-(2-naphthalen-1-yloxyacetyl)-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is IIBGZILMAWDBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c26-22(17-29-21-12-6-8-18-7-4-5-11-20(18)21)25-15-13-24(14-16-25,23(27)28)19-9-2-1-3-10-19/h1-12H,13-17H2,(H,27,28).
What are the key properties of 1-(2-naphthalen-1-yloxyacetyl)-4-phenylpiperidine-4-carboxylic acid?
1-(2-naphthalen-1-yloxyacetyl)-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 389.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-1-yloxyacetyl)-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 45433455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).