2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)butanamide

C25H28N2O2 — CID 133166849

IUPAC2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)butanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C25H28N2O2/c1-2-24(29-23-15-10-19-8-4-5-9-20(19)18-23)25(28)26-21-11-13-22(14-12-21)27-16-6-3-7-17-27/h4-5,8-15,18,24H,2-3,6-7,16-17H2,1H3,(H,26,28)
InChIKeyYMLZIFLJPXUIFN-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.63
Rot. Bonds6

About 2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)butanamide

2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)butanamide (PubChem CID 133166849) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)butanamide
PubChem CID133166849
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)butanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C25H28N2O2/c1-2-24(29-23-15-10-19-8-4-5-9-20(19)18-23)25(28)26-21-11-13-22(14-12-21)27-16-6-3-7-17-27/h4-5,8-15,18,24H,2-3,6-7,16-17H2,1H3,(H,26,28)
InChIKeyYMLZIFLJPXUIFN-UHFFFAOYSA-N
XLogP5.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-phenoxy-N-(4-piperidin-1-ylphenyl)butanamide
CID 7409300
(2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 41491672
(2S)-2-naphthalen-2-yloxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 99951850
(2S)-2-(4-ethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 100507846
2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166916
(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
(2S)-2-(4-tert-butylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 100507876
N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284524
N-(4-ethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 43904923
methyl 4-[[(2R)-2-naphthalen-2-yloxybutanoyl]amino]benzoate
CID 30382427
methyl 4-(2-naphthalen-2-yloxybutanoylamino)benzoate
CID 43904604
2-(2,3-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166851

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)butanamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)butanamide (CID 133166849) is 2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)butanamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)butanamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)butanamide is CCC(Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)butanamide?
The InChIKey is YMLZIFLJPXUIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-2-24(29-23-15-10-19-8-4-5-9-20(19)18-23)25(28)26-21-11-13-22(14-12-21)27-16-6-3-7-17-27/h4-5,8-15,18,24H,2-3,6-7,16-17H2,1H3,(H,26,28).
What are the key properties of 2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)butanamide?
2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)butanamide has a molecular weight of 388.51 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)butanamide is sourced from PubChem (CID 133166849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).