N-[2-piperidin-1-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]octanamide

C27H36F3N3O — CID 154663601

IUPACN-[2-piperidin-1-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1N1CCCCC1
InChIInChI=1S/C27H36F3N3O/c1-2-3-4-5-7-10-26(34)32-24-16-15-23(19-25(24)33-17-8-6-9-18-33)31-20-21-11-13-22(14-12-21)27(28,29)30/h11-16,19,31H,2-10,17-18,20H2,1H3,(H,32,34)
InChIKeyBYOLSMVMXCTOBX-UHFFFAOYSA-N
MW475.60 g/mol
LogP7.61
Rot. Bonds11

About N-[2-piperidin-1-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]octanamide

N-[2-piperidin-1-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]octanamide (PubChem CID 154663601) has the molecular formula C27H36F3N3O and a molecular weight of 475.60 g/mol. Its IUPAC name is N-[2-piperidin-1-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]octanamide.

Molecular Properties

Compound NameN-[2-piperidin-1-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]octanamide
PubChem CID154663601
Molecular FormulaC27H36F3N3O
Molecular Weight475.60 g/mol
Exact Mass475.28
IUPAC NameN-[2-piperidin-1-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1N1CCCCC1
InChIInChI=1S/C27H36F3N3O/c1-2-3-4-5-7-10-26(34)32-24-16-15-23(19-25(24)33-17-8-6-9-18-33)31-20-21-11-13-22(14-12-21)27(28,29)30/h11-16,19,31H,2-10,17-18,20H2,1H3,(H,32,34)
InChIKeyBYOLSMVMXCTOBX-UHFFFAOYSA-N
XLogP7.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.60
LogP ≤ 57.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-N-[2-piperidin-1-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]octanamide
CID 154663628
N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide
CID 154663635
N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-7-(4-fluorophenyl)heptanamide
CID 154663608
N-[2-fluoro-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]butanamide
CID 10066693
3-cyclohexyl-N-[2-(diethylamino)-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanamide
CID 154663584
4-cyclohexyl-N-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide
CID 154663741
2-(4-acetamidophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16561278
4-(azepan-1-yl)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinolin-7-amine
CID 69285284
ethyl N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 10269475
2-(4-aminophenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828224
2-oxo-2-[[4-(tridecanoylamino)phenyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 10152904
N-(4-tert-butylphenyl)dodecanamide
CID 118504435

Frequently Asked Questions

What is the IUPAC name of N-[2-piperidin-1-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]octanamide?
The IUPAC name of N-[2-piperidin-1-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]octanamide (CID 154663601) is N-[2-piperidin-1-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]octanamide.
What is the SMILES notation for N-[2-piperidin-1-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]octanamide?
The canonical SMILES for N-[2-piperidin-1-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]octanamide is CCCCCCCC(=O)Nc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1N1CCCCC1.
What is the InChIKey of N-[2-piperidin-1-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]octanamide?
The InChIKey is BYOLSMVMXCTOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36F3N3O/c1-2-3-4-5-7-10-26(34)32-24-16-15-23(19-25(24)33-17-8-6-9-18-33)31-20-21-11-13-22(14-12-21)27(28,29)30/h11-16,19,31H,2-10,17-18,20H2,1H3,(H,32,34).
What are the key properties of N-[2-piperidin-1-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]octanamide?
N-[2-piperidin-1-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]octanamide has a molecular weight of 475.60 g/mol, XLogP of 7.61, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-piperidin-1-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]octanamide is sourced from PubChem (CID 154663601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).