N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

C25H32F2N2O — CID 56665221

IUPACN-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCCC(CC)(CNC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H32F2N2O/c1-3-25(4-2,21-7-11-23(27)12-8-21)18-28-24(30)20-13-15-29(16-14-20)17-19-5-9-22(26)10-6-19/h5-12,20H,3-4,13-18H2,1-2H3,(H,28,30)
InChIKeyHAGSKZWUFNVNFJ-UHFFFAOYSA-N
MW414.54 g/mol
LogP5.05
Rot. Bonds8

About N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 56665221) has the molecular formula C25H32F2N2O and a molecular weight of 414.54 g/mol. Its IUPAC name is N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID56665221
Molecular FormulaC25H32F2N2O
Molecular Weight414.54 g/mol
Exact Mass414.25
IUPAC NameN-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCCC(CC)(CNC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H32F2N2O/c1-3-25(4-2,21-7-11-23(27)12-8-21)18-28-24(30)20-13-15-29(16-14-20)17-19-5-9-22(26)10-6-19/h5-12,20H,3-4,13-18H2,1-2H3,(H,28,30)
InChIKeyHAGSKZWUFNVNFJ-UHFFFAOYSA-N
XLogP5.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.54
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ksp-IA
CID 24901494
(1S)-1-{[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]carbonyl}-2,2-dimethylpropylamine
CID 24901496
N-[(4-Fluorophenyl)methyl]-1-[(1r)-1-Naphthalen-1-Ylethyl]piperidine-4-Carboxamide
CID 73659185
N-[(3-Fluorophenyl)methyl]-1-[(1r)-1-Naphthalen-1-Ylethyl]piperidine-4-Carboxamide
CID 73659186
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851917
N-[[4-Phenyl-1-(phenylmethyl)-4-piperidinyl]methyl]formamide
CID 23538
CCR2 Antagonist
CID 44454820
(4R,5R)-5-amino-1-(2-phenylethyl)-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16203033
(4R,5R)-5-amino-1-benzyl-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204463
(4R,5R)-5-amino-1-(3-phenylpropyl)-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204464
(4R,5R)-5-amino-1-[(2S)-2-phenylpropyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204465
N-benzyl-4-phenyl-1-[4-(propan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 24776412

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 56665221) is N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is CCC(CC)(CNC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is HAGSKZWUFNVNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N2O/c1-3-25(4-2,21-7-11-23(27)12-8-21)18-28-24(30)20-13-15-29(16-14-20)17-19-5-9-22(26)10-6-19/h5-12,20H,3-4,13-18H2,1-2H3,(H,28,30).
What are the key properties of N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 414.54 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 56665221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).