4,4-difluoro-N-[(1S)-1-phenyl-3-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]piperidin-1-yl]propyl]cyclohexane-1-carboxamide

C30H36F5N3O2 — CID 25205931

IUPAC4,4-difluoro-N-[(1S)-1-phenyl-3-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]piperidin-1-yl]propyl]cyclohexane-1-carboxamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NC1CCN(CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CC1
InChIInChI=1S/C30H36F5N3O2/c31-29(32)15-10-23(11-16-29)28(40)37-26(22-4-2-1-3-5-22)14-19-38-17-12-25(13-18-38)36-27(39)20-21-6-8-24(9-7-21)30(33,34)35/h1-9,23,25-26H,10-20H2,(H,36,39)(H,37,40)/t26-/m0/s1
InChIKeyCGJRQDRNOOVHKY-SANMLTNESA-N
MW565.63 g/mol
LogP5.90
Rot. Bonds9

About 4,4-difluoro-N-[(1S)-1-phenyl-3-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]piperidin-1-yl]propyl]cyclohexane-1-carboxamide

4,4-difluoro-N-[(1S)-1-phenyl-3-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]piperidin-1-yl]propyl]cyclohexane-1-carboxamide (PubChem CID 25205931) has the molecular formula C30H36F5N3O2 and a molecular weight of 565.63 g/mol. Its IUPAC name is 4,4-difluoro-N-[(1S)-1-phenyl-3-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]piperidin-1-yl]propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[(1S)-1-phenyl-3-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]piperidin-1-yl]propyl]cyclohexane-1-carboxamide
PubChem CID25205931
Molecular FormulaC30H36F5N3O2
Molecular Weight565.63 g/mol
Exact Mass565.27
IUPAC Name4,4-difluoro-N-[(1S)-1-phenyl-3-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]piperidin-1-yl]propyl]cyclohexane-1-carboxamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NC1CCN(CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CC1
InChIInChI=1S/C30H36F5N3O2/c31-29(32)15-10-23(11-16-29)28(40)37-26(22-4-2-1-3-5-22)14-19-38-17-12-25(13-18-38)36-27(39)20-21-6-8-24(9-7-21)30(33,34)35/h1-9,23,25-26H,10-20H2,(H,36,39)(H,37,40)/t26-/m0/s1
InChIKeyCGJRQDRNOOVHKY-SANMLTNESA-N
XLogP5.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.63
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4,4-difluoro-N-[(1S)-1-phenyl-3-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]piperidin-1-yl]propyl]cyclohexane-1-carboxamide 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-[(1S)-3-[4-[[2-(4-cyanophenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;methane
CID 158873935
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 25205776
N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide
CID 23570398
N-[3-[(3S)-3-[[2-(4-methoxyphenyl)acetyl]amino]pyrrolidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide
CID 58631033
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 25205927
N-[(1S)-3-[1-benzyl-3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide
CID 59691530
N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclopropanecarboxamide
CID 10142994
2-(4-cyanophenyl)-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]acetamide
CID 25206081
N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclopentanecarboxamide
CID 10209551
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide
CID 25205608
N-[(1S)-3-[2,4-dioxo-3-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,8-triazaspiro[4.5]decan-8-yl]-1-phenylpropyl]cyclopropanecarboxamide;hydrochloride
CID 69211117
4,4-difluoro-N-[3-[(3-methyl-2-oxobutyl)amino]-1-phenylpropyl]cyclohexane-1-carboxamide
CID 58969799

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[(1S)-1-phenyl-3-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]piperidin-1-yl]propyl]cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[(1S)-1-phenyl-3-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]piperidin-1-yl]propyl]cyclohexane-1-carboxamide (CID 25205931) is 4,4-difluoro-N-[(1S)-1-phenyl-3-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]piperidin-1-yl]propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[(1S)-1-phenyl-3-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]piperidin-1-yl]propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[(1S)-1-phenyl-3-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]piperidin-1-yl]propyl]cyclohexane-1-carboxamide is O=C(Cc1ccc(C(F)(F)F)cc1)NC1CCN(CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CC1.
What is the InChIKey of 4,4-difluoro-N-[(1S)-1-phenyl-3-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]piperidin-1-yl]propyl]cyclohexane-1-carboxamide?
The InChIKey is CGJRQDRNOOVHKY-SANMLTNESA-N. The full InChI is InChI=1S/C30H36F5N3O2/c31-29(32)15-10-23(11-16-29)28(40)37-26(22-4-2-1-3-5-22)14-19-38-17-12-25(13-18-38)36-27(39)20-21-6-8-24(9-7-21)30(33,34)35/h1-9,23,25-26H,10-20H2,(H,36,39)(H,37,40)/t26-/m0/s1.
What are the key properties of 4,4-difluoro-N-[(1S)-1-phenyl-3-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]piperidin-1-yl]propyl]cyclohexane-1-carboxamide?
4,4-difluoro-N-[(1S)-1-phenyl-3-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]piperidin-1-yl]propyl]cyclohexane-1-carboxamide has a molecular weight of 565.63 g/mol, XLogP of 5.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[(1S)-1-phenyl-3-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]piperidin-1-yl]propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 25205931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).