5-(4-phenoxyphenyl)-N-(3-piperidin-4-ylphenyl)pentanamide

C28H32N2O2 — CID 11475881

IUPAC5-(4-phenoxyphenyl)-N-(3-piperidin-4-ylphenyl)pentanamide
SMILESO=C(CCCCc1ccc(Oc2ccccc2)cc1)Nc1cccc(C2CCNCC2)c1
InChIInChI=1S/C28H32N2O2/c31-28(30-25-9-6-8-24(21-25)23-17-19-29-20-18-23)12-5-4-7-22-13-15-27(16-14-22)32-26-10-2-1-3-11-26/h1-3,6,8-11,13-16,21,23,29H,4-5,7,12,17-20H2,(H,30,31)
InChIKeyFQKMAPBQULXMQY-UHFFFAOYSA-N
MW428.58 g/mol
LogP6.30
Rot. Bonds9

About 5-(4-phenoxyphenyl)-N-(3-piperidin-4-ylphenyl)pentanamide

5-(4-phenoxyphenyl)-N-(3-piperidin-4-ylphenyl)pentanamide (PubChem CID 11475881) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 5-(4-phenoxyphenyl)-N-(3-piperidin-4-ylphenyl)pentanamide.

Molecular Properties

Compound Name5-(4-phenoxyphenyl)-N-(3-piperidin-4-ylphenyl)pentanamide
PubChem CID11475881
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name5-(4-phenoxyphenyl)-N-(3-piperidin-4-ylphenyl)pentanamide
SMILESO=C(CCCCc1ccc(Oc2ccccc2)cc1)Nc1cccc(C2CCNCC2)c1
InChIInChI=1S/C28H32N2O2/c31-28(30-25-9-6-8-24(21-25)23-17-19-29-20-18-23)12-5-4-7-22-13-15-27(16-14-22)32-26-10-2-1-3-11-26/h1-3,6,8-11,13-16,21,23,29H,4-5,7,12,17-20H2,(H,30,31)
InChIKeyFQKMAPBQULXMQY-UHFFFAOYSA-N
XLogP6.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(5-phenylpentanoylamino)phenyl]piperidine-1-carboxylic acid
CID 68865260
6-(3,4-difluoroanilino)-N-(3-piperidin-4-ylphenyl)hexanamide
CID 10023999
N-(2-fluoro-5-piperidin-4-ylphenyl)-5-(3-methoxyphenyl)pentanamide
CID 174445363
N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]propanamide
CID 22049474
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
4-chloro-N-(3-phenoxyphenyl)butanamide
CID 63308949
2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide
CID 172895402
6-phenyl-N-piperidin-4-ylhexanamide
CID 154665785
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide
CID 17161027
N-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide
CID 54794464
2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide;2,2,2-trifluoroacetic acid
CID 172895401

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenoxyphenyl)-N-(3-piperidin-4-ylphenyl)pentanamide?
The IUPAC name of 5-(4-phenoxyphenyl)-N-(3-piperidin-4-ylphenyl)pentanamide (CID 11475881) is 5-(4-phenoxyphenyl)-N-(3-piperidin-4-ylphenyl)pentanamide.
What is the SMILES notation for 5-(4-phenoxyphenyl)-N-(3-piperidin-4-ylphenyl)pentanamide?
The canonical SMILES for 5-(4-phenoxyphenyl)-N-(3-piperidin-4-ylphenyl)pentanamide is O=C(CCCCc1ccc(Oc2ccccc2)cc1)Nc1cccc(C2CCNCC2)c1.
What is the InChIKey of 5-(4-phenoxyphenyl)-N-(3-piperidin-4-ylphenyl)pentanamide?
The InChIKey is FQKMAPBQULXMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c31-28(30-25-9-6-8-24(21-25)23-17-19-29-20-18-23)12-5-4-7-22-13-15-27(16-14-22)32-26-10-2-1-3-11-26/h1-3,6,8-11,13-16,21,23,29H,4-5,7,12,17-20H2,(H,30,31).
What are the key properties of 5-(4-phenoxyphenyl)-N-(3-piperidin-4-ylphenyl)pentanamide?
5-(4-phenoxyphenyl)-N-(3-piperidin-4-ylphenyl)pentanamide has a molecular weight of 428.58 g/mol, XLogP of 6.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenoxyphenyl)-N-(3-piperidin-4-ylphenyl)pentanamide is sourced from PubChem (CID 11475881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).