N-[2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]phenyl]acetamide;2,2,2-trifluoroacetic acid

C31H35F3N2O5 — CID 53300855

IUPACN-[2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]phenyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)Nc1ccccc1OCCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C29H34N2O3.C2HF3O2/c1-23(32)30-27-15-8-9-16-28(27)34-22-10-19-31-20-17-26(18-21-31)29(33,24-11-4-2-5-12-24)25-13-6-3-7-14-25;3-2(4,5)1(6)7/h2-9,11-16,26,33H,10,17-22H2,1H3,(H,30,32);(H,6,7)
InChIKeyFKKVBMWAEDGRCS-UHFFFAOYSA-N
MW572.62 g/mol
LogP5.70
Rot. Bonds9

About N-[2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]phenyl]acetamide;2,2,2-trifluoroacetic acid

N-[2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]phenyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 53300855) has the molecular formula C31H35F3N2O5 and a molecular weight of 572.62 g/mol. Its IUPAC name is N-[2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]phenyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]phenyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID53300855
Molecular FormulaC31H35F3N2O5
Molecular Weight572.62 g/mol
Exact Mass572.25
IUPAC NameN-[2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]phenyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)Nc1ccccc1OCCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C29H34N2O3.C2HF3O2/c1-23(32)30-27-15-8-9-16-28(27)34-22-10-19-31-20-17-26(18-21-31)29(33,24-11-4-2-5-12-24)25-13-6-3-7-14-25;3-2(4,5)1(6)7/h2-9,11-16,26,33H,10,17-22H2,1H3,(H,30,32);(H,6,7)
InChIKeyFKKVBMWAEDGRCS-UHFFFAOYSA-N
XLogP5.70
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.62
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]phenyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]phenyl]acetamide;2,2,2-trifluoroacetic acid (CID 53300855) is N-[2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]phenyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]phenyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]phenyl]acetamide;2,2,2-trifluoroacetic acid is CC(=O)Nc1ccccc1OCCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]phenyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is FKKVBMWAEDGRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O3.C2HF3O2/c1-23(32)30-27-15-8-9-16-28(27)34-22-10-19-31-20-17-26(18-21-31)29(33,24-11-4-2-5-12-24)25-13-6-3-7-14-25;3-2(4,5)1(6)7/h2-9,11-16,26,33H,10,17-22H2,1H3,(H,30,32);(H,6,7).
What are the key properties of N-[2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]phenyl]acetamide;2,2,2-trifluoroacetic acid?
N-[2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]phenyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 572.62 g/mol, XLogP of 5.70, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]phenyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 53300855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).