4-phenoxy-N-[(3R,4R)-4-(4-phenylphenyl)piperidin-3-yl]benzamide

C30H28N2O2 — CID 25115052

IUPAC4-phenoxy-N-[(3R,4R)-4-(4-phenylphenyl)piperidin-3-yl]benzamide
SMILESO=C(N[C@H]1CNCC[C@@H]1c1ccc(-c2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C30H28N2O2/c33-30(25-15-17-27(18-16-25)34-26-9-5-2-6-10-26)32-29-21-31-20-19-28(29)24-13-11-23(12-14-24)22-7-3-1-4-8-22/h1-18,28-29,31H,19-21H2,(H,32,33)/t28-,29+/m1/s1
InChIKeyWZAGNCUHKGMXBP-WDYNHAJCSA-N
MW448.57 g/mol
LogP6.02
Rot. Bonds6

About 4-phenoxy-N-[(3R,4R)-4-(4-phenylphenyl)piperidin-3-yl]benzamide

4-phenoxy-N-[(3R,4R)-4-(4-phenylphenyl)piperidin-3-yl]benzamide (PubChem CID 25115052) has the molecular formula C30H28N2O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 4-phenoxy-N-[(3R,4R)-4-(4-phenylphenyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-phenoxy-N-[(3R,4R)-4-(4-phenylphenyl)piperidin-3-yl]benzamide
PubChem CID25115052
Molecular FormulaC30H28N2O2
Molecular Weight448.57 g/mol
Exact Mass448.22
IUPAC Name4-phenoxy-N-[(3R,4R)-4-(4-phenylphenyl)piperidin-3-yl]benzamide
SMILESO=C(N[C@H]1CNCC[C@@H]1c1ccc(-c2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C30H28N2O2/c33-30(25-15-17-27(18-16-25)34-26-9-5-2-6-10-26)32-29-21-31-20-19-28(29)24-13-11-23(12-14-24)22-7-3-1-4-8-22/h1-18,28-29,31H,19-21H2,(H,32,33)/t28-,29+/m1/s1
InChIKeyWZAGNCUHKGMXBP-WDYNHAJCSA-N
XLogP6.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-2-yl-3-[4-(4-phenylphenyl)piperidin-3-yl]urea
CID 67231718
(3R,4R)-N-(3-methoxyphenyl)-3-[(4-phenoxybenzoyl)amino]-4-(4-phenylphenyl)piperidine-1-carboxamide
CID 25115281
N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-4-phenylbenzamide
CID 140854257
N-[(3R,4S)-3-hydroxypiperidin-4-yl]benzamide
CID 15096814
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide
CID 22573649
N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-phenoxybenzamide
CID 7831592
N-(4-methylpiperidin-3-yl)benzamide
CID 63326220
[(3S,4S)-4-phenylpiperidin-3-yl] 4-(4-methoxyphenyl)benzoate
CID 59674874
N-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide
CID 71836746
N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid
CID 175088163
N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 126431501
methyl 3-[4-[[(3R,4R)-3-hydroxypiperidin-4-yl]carbamoyl]phenyl]benzoate
CID 119070407

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-[(3R,4R)-4-(4-phenylphenyl)piperidin-3-yl]benzamide?
The IUPAC name of 4-phenoxy-N-[(3R,4R)-4-(4-phenylphenyl)piperidin-3-yl]benzamide (CID 25115052) is 4-phenoxy-N-[(3R,4R)-4-(4-phenylphenyl)piperidin-3-yl]benzamide.
What is the SMILES notation for 4-phenoxy-N-[(3R,4R)-4-(4-phenylphenyl)piperidin-3-yl]benzamide?
The canonical SMILES for 4-phenoxy-N-[(3R,4R)-4-(4-phenylphenyl)piperidin-3-yl]benzamide is O=C(N[C@H]1CNCC[C@@H]1c1ccc(-c2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-phenoxy-N-[(3R,4R)-4-(4-phenylphenyl)piperidin-3-yl]benzamide?
The InChIKey is WZAGNCUHKGMXBP-WDYNHAJCSA-N. The full InChI is InChI=1S/C30H28N2O2/c33-30(25-15-17-27(18-16-25)34-26-9-5-2-6-10-26)32-29-21-31-20-19-28(29)24-13-11-23(12-14-24)22-7-3-1-4-8-22/h1-18,28-29,31H,19-21H2,(H,32,33)/t28-,29+/m1/s1.
What are the key properties of 4-phenoxy-N-[(3R,4R)-4-(4-phenylphenyl)piperidin-3-yl]benzamide?
4-phenoxy-N-[(3R,4R)-4-(4-phenylphenyl)piperidin-3-yl]benzamide has a molecular weight of 448.57 g/mol, XLogP of 6.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-[(3R,4R)-4-(4-phenylphenyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 25115052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).