N-[5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-2-methylphenyl]-2-methylpropanamide

C29H32F2N2O2 — CID 16756753

IUPACN-[5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-2-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(C2CCN(Cc3ccc(Oc4ccc(F)c(F)c4)cc3)CC2)cc1NC(=O)C(C)C
InChIInChI=1S/C29H32F2N2O2/c1-19(2)29(34)32-28-16-23(7-4-20(28)3)22-12-14-33(15-13-22)18-21-5-8-24(9-6-21)35-25-10-11-26(30)27(31)17-25/h4-11,16-17,19,22H,12-15,18H2,1-3H3,(H,32,34)
InChIKeyZYUVYNFTIYISBW-UHFFFAOYSA-N
MW478.58 g/mol
LogP7.04
Rot. Bonds7

About N-[5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-2-methylphenyl]-2-methylpropanamide

N-[5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-2-methylphenyl]-2-methylpropanamide (PubChem CID 16756753) has the molecular formula C29H32F2N2O2 and a molecular weight of 478.58 g/mol. Its IUPAC name is N-[5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-2-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-2-methylphenyl]-2-methylpropanamide
PubChem CID16756753
Molecular FormulaC29H32F2N2O2
Molecular Weight478.58 g/mol
Exact Mass478.24
IUPAC NameN-[5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-2-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(C2CCN(Cc3ccc(Oc4ccc(F)c(F)c4)cc3)CC2)cc1NC(=O)C(C)C
InChIInChI=1S/C29H32F2N2O2/c1-19(2)29(34)32-28-16-23(7-4-20(28)3)22-12-14-33(15-13-22)18-21-5-8-24(9-6-21)35-25-10-11-26(30)27(31)17-25/h4-11,16-17,19,22H,12-15,18H2,1-3H3,(H,32,34)
InChIKeyZYUVYNFTIYISBW-UHFFFAOYSA-N
XLogP7.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.58
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-{1-[4-(3,4-Difluorophenoxy)benzyl]-4-piperidinyl}-4-methylphenyl)-2-methylpropanamide
CID 16756754
3-((2-(9H-xanthen-9-yl)ethyl)(methyl)amino)-1-(4-(3,4-difluorophenyl)piperazin-1-yl)propan-1-one
CID 17955460
4-(4-fluorophenoxy)-N-methyl-N-[3-methyl-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide
CID 56960874
N-(3-{1-[4-(3,4-difluorophenoxy)benzyl]-4-piperidinyl}phenyl)-2-methylpropanamide
CID 10183297
N-[4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]phenyl]acetamide
CID 14407113
N-(3-{1-[4-oxo-4-(4-phenoxyphenyl)butyl)-4-piperidinyl}phenyl)-acetamide
CID 16756404
2-Methyl-N-{3-[1-(3-phenoxybenzyl)-4-piperidinyl]phenyl}propanamide
CID 16756521
2-Methyl-N-(3-{1-[3-(4-methylphenoxy)benzyl]-4-piperidinyl}phenyl)propanamide
CID 16756522
N-(3-{1-[3-(4-Tert-butylphenoxy)benzyl]-4-piperidinyl}phenyl)-2-methylpropanamide
CID 16756523
N-(3-{1-[3-(4-Methoxyphenoxy)benzyl]-4-piperidinyl}phenyl)-2-methylpropanamide
CID 16756524
2-methyl-N-[3-(1-{3-[3-(trifluoromethyl)phenoxy]benzyl}-4-piperidinyl)phenyl]-propanamide
CID 16756638
2-Methyl-N-{3-[1-(4-phenoxybenzyl)-4-piperidinyl]phenyl}propanamide
CID 16756641

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-2-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-2-methylphenyl]-2-methylpropanamide (CID 16756753) is N-[5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-2-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-2-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-2-methylphenyl]-2-methylpropanamide is Cc1ccc(C2CCN(Cc3ccc(Oc4ccc(F)c(F)c4)cc3)CC2)cc1NC(=O)C(C)C.
What is the InChIKey of N-[5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-2-methylphenyl]-2-methylpropanamide?
The InChIKey is ZYUVYNFTIYISBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F2N2O2/c1-19(2)29(34)32-28-16-23(7-4-20(28)3)22-12-14-33(15-13-22)18-21-5-8-24(9-6-21)35-25-10-11-26(30)27(31)17-25/h4-11,16-17,19,22H,12-15,18H2,1-3H3,(H,32,34).
What are the key properties of N-[5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-2-methylphenyl]-2-methylpropanamide?
N-[5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-2-methylphenyl]-2-methylpropanamide has a molecular weight of 478.58 g/mol, XLogP of 7.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-2-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 16756753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).