N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C32H37F3N2O — CID 10186428

IUPACN-(1-benzylpiperidin-4-yl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCCCCc1ccc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C32H37F3N2O/c1-2-3-5-8-25-11-15-28(16-12-25)31(38)37(24-27-13-17-29(18-14-27)32(33,34)35)30-19-21-36(22-20-30)23-26-9-6-4-7-10-26/h4,6-7,9-18,30H,2-3,5,8,19-24H2,1H3
InChIKeyPCOVBVXNEQBQLP-UHFFFAOYSA-N
MW522.66 g/mol
LogP7.75
Rot. Bonds10

About N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 10186428) has the molecular formula C32H37F3N2O and a molecular weight of 522.66 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID10186428
Molecular FormulaC32H37F3N2O
Molecular Weight522.66 g/mol
Exact Mass522.29
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCCCCc1ccc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C32H37F3N2O/c1-2-3-5-8-25-11-15-28(16-12-25)31(38)37(24-27-13-17-29(18-14-27)32(33,34)35)30-19-21-36(22-20-30)23-26-9-6-4-7-10-26/h4,6-7,9-18,30H,2-3,5,8,19-24H2,1H3
InChIKeyPCOVBVXNEQBQLP-UHFFFAOYSA-N
XLogP7.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.66
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1-benzylpiperidin-4-yl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 10186428) is N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is CCCCCc1ccc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is PCOVBVXNEQBQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37F3N2O/c1-2-3-5-8-25-11-15-28(16-12-25)31(38)37(24-27-13-17-29(18-14-27)32(33,34)35)30-19-21-36(22-20-30)23-26-9-6-4-7-10-26/h4,6-7,9-18,30H,2-3,5,8,19-24H2,1H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 522.66 g/mol, XLogP of 7.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 10186428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).