2-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-4-phenoxybutanoic acid

C26H25NO4 — CID 22399471

IUPAC2-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-4-phenoxybutanoic acid
SMILESO=C(O)C(CCOc1ccccc1)C1=CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C26H25NO4/c28-25(22-11-10-19-6-4-5-7-21(19)18-22)27-15-12-20(13-16-27)24(26(29)30)14-17-31-23-8-2-1-3-9-23/h1-12,18,24H,13-17H2,(H,29,30)
InChIKeyOTORVILOESSZLB-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.78
Rot. Bonds7

About 2-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-4-phenoxybutanoic acid

2-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-4-phenoxybutanoic acid (PubChem CID 22399471) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-4-phenoxybutanoic acid.

Molecular Properties

Compound Name2-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-4-phenoxybutanoic acid
PubChem CID22399471
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name2-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-4-phenoxybutanoic acid
SMILESO=C(O)C(CCOc1ccccc1)C1=CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C26H25NO4/c28-25(22-11-10-19-6-4-5-7-21(19)18-22)27-15-12-20(13-16-27)24(26(29)30)14-17-31-23-8-2-1-3-9-23/h1-12,18,24H,13-17H2,(H,29,30)
InChIKeyOTORVILOESSZLB-UHFFFAOYSA-N
XLogP4.78
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid
CID 22399409
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]-4-phenylbutanoic acid
CID 54172123
[4-(2-benzhydryloxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 10527563
(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 1343328
1H-indol-6-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114390176
3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one
CID 108569450
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-naphthalen-2-ylmethanone
CID 114500719
naphthalene-2-carboxylic acid
CID 175967775
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 34478048
[4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 43390847
1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 112507736

Frequently Asked Questions

What is the IUPAC name of 2-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-4-phenoxybutanoic acid?
The IUPAC name of 2-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-4-phenoxybutanoic acid (CID 22399471) is 2-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-4-phenoxybutanoic acid.
What is the SMILES notation for 2-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-4-phenoxybutanoic acid?
The canonical SMILES for 2-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-4-phenoxybutanoic acid is O=C(O)C(CCOc1ccccc1)C1=CCN(C(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-4-phenoxybutanoic acid?
The InChIKey is OTORVILOESSZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c28-25(22-11-10-19-6-4-5-7-21(19)18-22)27-15-12-20(13-16-27)24(26(29)30)14-17-31-23-8-2-1-3-9-23/h1-12,18,24H,13-17H2,(H,29,30).
What are the key properties of 2-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-4-phenoxybutanoic acid?
2-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-4-phenoxybutanoic acid has a molecular weight of 415.49 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-4-phenoxybutanoic acid is sourced from PubChem (CID 22399471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).