N-[(3R,4R)-3-hydroxy-4-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3-methoxybenzamide

C28H30N2O3 — CID 172656282

IUPACN-[(3R,4R)-3-hydroxy-4-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@]2(c3ccccc3)CCN(C/C=C/c3ccccc3)C[C@H]2O)c1
InChIInChI=1S/C28H30N2O3/c1-33-25-16-8-13-23(20-25)27(32)29-28(24-14-6-3-7-15-24)17-19-30(21-26(28)31)18-9-12-22-10-4-2-5-11-22/h2-16,20,26,31H,17-19,21H2,1H3,(H,29,32)/b12-9+/t26-,28-/m1/s1
InChIKeyCXZVYSXKFKPRGO-BLXZABJOSA-N
MW442.56 g/mol
LogP4.10
Rot. Bonds7

About N-[(3R,4R)-3-hydroxy-4-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3-methoxybenzamide

N-[(3R,4R)-3-hydroxy-4-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3-methoxybenzamide (PubChem CID 172656282) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-4-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-4-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3-methoxybenzamide
PubChem CID172656282
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC NameN-[(3R,4R)-3-hydroxy-4-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@]2(c3ccccc3)CCN(C/C=C/c3ccccc3)C[C@H]2O)c1
InChIInChI=1S/C28H30N2O3/c1-33-25-16-8-13-23(20-25)27(32)29-28(24-14-6-3-7-15-24)17-19-30(21-26(28)31)18-9-12-22-10-4-2-5-11-22/h2-16,20,26,31H,17-19,21H2,1H3,(H,29,32)/b12-9+/t26-,28-/m1/s1
InChIKeyCXZVYSXKFKPRGO-BLXZABJOSA-N
XLogP4.10
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-N-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]benzamide
CID 2999114
3-methoxy-N-(1-phenylcyclobutyl)benzamide
CID 51273020
N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide
CID 115764584
3-hydroxy-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]benzamide
CID 95190416
(3-ethoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 2970382
N-(2,4-dimethoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 108990292
N-[(3R,4R)-1-(4-cyano-2-pyridinyl)-3-hydroxy-4-phenylpiperidin-4-yl]-2-(3-methoxyphenyl)acetamide
CID 171911126
methyl 3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzoate
CID 8544540
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
3-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-3-carboxylic acid
CID 55167121
methyl 4-(3-phenylprop-2-enyl)piperazine-2-carboxylate
CID 123254803
8-[(3-methoxyphenyl)methyl]-3-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 143341296

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-4-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3-methoxybenzamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-4-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3-methoxybenzamide (CID 172656282) is N-[(3R,4R)-3-hydroxy-4-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-4-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3-methoxybenzamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-4-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3-methoxybenzamide is COc1cccc(C(=O)N[C@@]2(c3ccccc3)CCN(C/C=C/c3ccccc3)C[C@H]2O)c1.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-4-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3-methoxybenzamide?
The InChIKey is CXZVYSXKFKPRGO-BLXZABJOSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-33-25-16-8-13-23(20-25)27(32)29-28(24-14-6-3-7-15-24)17-19-30(21-26(28)31)18-9-12-22-10-4-2-5-11-22/h2-16,20,26,31H,17-19,21H2,1H3,(H,29,32)/b12-9+/t26-,28-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-4-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3-methoxybenzamide?
N-[(3R,4R)-3-hydroxy-4-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3-methoxybenzamide has a molecular weight of 442.56 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-4-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 172656282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).