N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide

C25H26N2O3 — CID 90595819

IUPACN-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide
SMILESCOC1CCN(c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C25H26N2O3/c1-29-22-15-17-27(18-16-22)21-11-9-20(10-12-21)26-25(28)19-7-13-24(14-8-19)30-23-5-3-2-4-6-23/h2-14,22H,15-18H2,1H3,(H,26,28)
InChIKeyUHWPCWDOPINBRD-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.35
Rot. Bonds6

About N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide

N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide (PubChem CID 90595819) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide
PubChem CID90595819
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide
SMILESCOC1CCN(c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C25H26N2O3/c1-29-22-15-17-27(18-16-22)21-11-9-20(10-12-21)26-25(28)19-7-13-24(14-8-19)30-23-5-3-2-4-6-23/h2-14,22H,15-18H2,1H3,(H,26,28)
InChIKeyUHWPCWDOPINBRD-UHFFFAOYSA-N
XLogP5.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
4-phenoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922461
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595860
N-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide
CID 71809682
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 90595803
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
N-cyclopropyl-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813653
N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 90595800
N-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide
CID 7582084
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595480
N-[4-(3-methoxyazetidin-1-yl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 91814615

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide?
The IUPAC name of N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide (CID 90595819) is N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide?
The canonical SMILES for N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide is COC1CCN(c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)CC1.
What is the InChIKey of N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide?
The InChIKey is UHWPCWDOPINBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-29-22-15-17-27(18-16-22)21-11-9-20(10-12-21)26-25(28)19-7-13-24(14-8-19)30-23-5-3-2-4-6-23/h2-14,22H,15-18H2,1H3,(H,26,28).
What are the key properties of N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide?
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide has a molecular weight of 402.49 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide is sourced from PubChem (CID 90595819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).