N-[3-[1-(3-phenoxy-3-phenylpropyl)piperidin-4-yl]phenyl]acetamide;toluene

C35H40N2O2 — CID 142106880

IUPACN-[3-[1-(3-phenoxy-3-phenylpropyl)piperidin-4-yl]phenyl]acetamide;toluene
SMILESCC(=O)Nc1cccc(C2CCN(CCC(Oc3ccccc3)c3ccccc3)CC2)c1.Cc1ccccc1
InChIInChI=1S/C28H32N2O2.C7H8/c1-22(31)29-26-12-8-11-25(21-26)23-15-18-30(19-16-23)20-17-28(24-9-4-2-5-10-24)32-27-13-6-3-7-14-27;1-7-5-3-2-4-6-7/h2-14,21,23,28H,15-20H2,1H3,(H,29,31);2-6H,1H3
InChIKeyLMYSTUMFEDLWMX-UHFFFAOYSA-N
MW520.72 g/mol
LogP8.03
Rot. Bonds8

About N-[3-[1-(3-phenoxy-3-phenylpropyl)piperidin-4-yl]phenyl]acetamide;toluene

N-[3-[1-(3-phenoxy-3-phenylpropyl)piperidin-4-yl]phenyl]acetamide;toluene (PubChem CID 142106880) has the molecular formula C35H40N2O2 and a molecular weight of 520.72 g/mol. Its IUPAC name is N-[3-[1-(3-phenoxy-3-phenylpropyl)piperidin-4-yl]phenyl]acetamide;toluene.

Molecular Properties

Compound NameN-[3-[1-(3-phenoxy-3-phenylpropyl)piperidin-4-yl]phenyl]acetamide;toluene
PubChem CID142106880
Molecular FormulaC35H40N2O2
Molecular Weight520.72 g/mol
Exact Mass520.31
IUPAC NameN-[3-[1-(3-phenoxy-3-phenylpropyl)piperidin-4-yl]phenyl]acetamide;toluene
SMILESCC(=O)Nc1cccc(C2CCN(CCC(Oc3ccccc3)c3ccccc3)CC2)c1.Cc1ccccc1
InChIInChI=1S/C28H32N2O2.C7H8/c1-22(31)29-26-12-8-11-25(21-26)23-15-18-30(19-16-23)20-17-28(24-9-4-2-5-10-24)32-27-13-6-3-7-14-27;1-7-5-3-2-4-6-7/h2-14,21,23,28H,15-20H2,1H3,(H,29,31);2-6H,1H3
InChIKeyLMYSTUMFEDLWMX-UHFFFAOYSA-N
XLogP8.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.72
LogP ≤ 58.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-[3-(4-bromophenoxy)-3-phenylpropyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049169
N-[3-[1-[(3S)-3-[3,4-bis(iodomethyl)phenoxy]-3-phenylpropyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 89382966
N-[3-[1-[6-(4-fluorophenoxy)-6-phenylhexyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048856
1-[3-[1-[3-(4-methoxyphenoxy)-3-phenylpropyl]piperidin-4-yl]anilino]-2-methylpropan-1-ol
CID 20722980
2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide
CID 22049411
N-[3-[1-[3-(3-acetylphenoxy)-3-(4-methoxyphenyl)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049339
N-[3-[1-[2-(3-chlorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048834
N-[3-[1-[4-(4-chlorophenoxy)-4-(4-chlorophenyl)butyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049344
N-[3-[1-[2-(4-fluorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049370
N-[3-[1-[5-(3-acetylphenoxy)-5-(4-fluorophenyl)pentyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048891
N-[3-[1-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048940
N-[3-[1-[5-(4-bromophenoxy)-5-(4-chlorophenyl)pentyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048947

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3-phenoxy-3-phenylpropyl)piperidin-4-yl]phenyl]acetamide;toluene?
The IUPAC name of N-[3-[1-(3-phenoxy-3-phenylpropyl)piperidin-4-yl]phenyl]acetamide;toluene (CID 142106880) is N-[3-[1-(3-phenoxy-3-phenylpropyl)piperidin-4-yl]phenyl]acetamide;toluene.
What is the SMILES notation for N-[3-[1-(3-phenoxy-3-phenylpropyl)piperidin-4-yl]phenyl]acetamide;toluene?
The canonical SMILES for N-[3-[1-(3-phenoxy-3-phenylpropyl)piperidin-4-yl]phenyl]acetamide;toluene is CC(=O)Nc1cccc(C2CCN(CCC(Oc3ccccc3)c3ccccc3)CC2)c1.Cc1ccccc1.
What is the InChIKey of N-[3-[1-(3-phenoxy-3-phenylpropyl)piperidin-4-yl]phenyl]acetamide;toluene?
The InChIKey is LMYSTUMFEDLWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2.C7H8/c1-22(31)29-26-12-8-11-25(21-26)23-15-18-30(19-16-23)20-17-28(24-9-4-2-5-10-24)32-27-13-6-3-7-14-27;1-7-5-3-2-4-6-7/h2-14,21,23,28H,15-20H2,1H3,(H,29,31);2-6H,1H3.
What are the key properties of N-[3-[1-(3-phenoxy-3-phenylpropyl)piperidin-4-yl]phenyl]acetamide;toluene?
N-[3-[1-(3-phenoxy-3-phenylpropyl)piperidin-4-yl]phenyl]acetamide;toluene has a molecular weight of 520.72 g/mol, XLogP of 8.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3-phenoxy-3-phenylpropyl)piperidin-4-yl]phenyl]acetamide;toluene is sourced from PubChem (CID 142106880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).