N-[2,4-difluoro-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide;2-methylpropane

C27H38F2N2O — CID 143552380

IUPACN-[2,4-difluoro-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide;2-methylpropane
SMILESCC(C)C.Cc1ccc(CN2CCC(c3cc(NC(=O)C(C)C)c(F)cc3F)CC2)cc1
InChIInChI=1S/C23H28F2N2O.C4H10/c1-15(2)23(28)26-22-12-19(20(24)13-21(22)25)18-8-10-27(11-9-18)14-17-6-4-16(3)5-7-17;1-4(2)3/h4-7,12-13,15,18H,8-11,14H2,1-3H3,(H,26,28);4H,1-3H3
InChIKeyZHWIQFJNZZRSIF-UHFFFAOYSA-N
MW444.61 g/mol
LogP6.91
Rot. Bonds5

About N-[2,4-difluoro-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide;2-methylpropane

N-[2,4-difluoro-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide;2-methylpropane (PubChem CID 143552380) has the molecular formula C27H38F2N2O and a molecular weight of 444.61 g/mol. Its IUPAC name is N-[2,4-difluoro-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide;2-methylpropane.

Molecular Properties

Compound NameN-[2,4-difluoro-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide;2-methylpropane
PubChem CID143552380
Molecular FormulaC27H38F2N2O
Molecular Weight444.61 g/mol
Exact Mass444.30
IUPAC NameN-[2,4-difluoro-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide;2-methylpropane
SMILESCC(C)C.Cc1ccc(CN2CCC(c3cc(NC(=O)C(C)C)c(F)cc3F)CC2)cc1
InChIInChI=1S/C23H28F2N2O.C4H10/c1-15(2)23(28)26-22-12-19(20(24)13-21(22)25)18-8-10-27(11-9-18)14-17-6-4-16(3)5-7-17;1-4(2)3/h4-7,12-13,15,18H,8-11,14H2,1-3H3,(H,26,28);4H,1-3H3
InChIKeyZHWIQFJNZZRSIF-UHFFFAOYSA-N
XLogP6.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.61
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2,4-difluoro-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide;2-methylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[1-[3-[[2,2-bis(4-chlorophenyl)acetyl]amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide;N-[5-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-2,4-difluorophenyl]-2-methylpropanamide;N-[3-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-4-fluorophenyl]-2-methylpropanamide
CID 158942124
N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021349
2-methyl-N-[4-methyl-3-[1-[(4-pyridin-2-ylsulfanylphenyl)methyl]piperidin-4-yl]phenyl]propanamide
CID 11712292
N-[3-[1-[[3-chloro-4-(4-chlorophenyl)sulfonylphenyl]methyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide
CID 69116066
2-methyl-N-[3-[1-[[3-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]propanamide
CID 16756522
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9390252
5-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
CID 57430092
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019725
1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46776173
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
N-[2-[1-[6-(2-fluorophenyl)-6-hydroxyhexyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 91504187
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669814

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide;2-methylpropane?
The IUPAC name of N-[2,4-difluoro-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide;2-methylpropane (CID 143552380) is N-[2,4-difluoro-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide;2-methylpropane.
What is the SMILES notation for N-[2,4-difluoro-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide;2-methylpropane?
The canonical SMILES for N-[2,4-difluoro-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide;2-methylpropane is CC(C)C.Cc1ccc(CN2CCC(c3cc(NC(=O)C(C)C)c(F)cc3F)CC2)cc1.
What is the InChIKey of N-[2,4-difluoro-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide;2-methylpropane?
The InChIKey is ZHWIQFJNZZRSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O.C4H10/c1-15(2)23(28)26-22-12-19(20(24)13-21(22)25)18-8-10-27(11-9-18)14-17-6-4-16(3)5-7-17;1-4(2)3/h4-7,12-13,15,18H,8-11,14H2,1-3H3,(H,26,28);4H,1-3H3.
What are the key properties of N-[2,4-difluoro-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide;2-methylpropane?
N-[2,4-difluoro-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide;2-methylpropane has a molecular weight of 444.61 g/mol, XLogP of 6.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide;2-methylpropane is sourced from PubChem (CID 143552380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).