2-[1-(4-acetylcyclohexyl)-4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]oxy-N-(3,5-dichlorophenyl)acetamide

C34H35Cl2N3O3 — CID 20608932

IUPAC2-[1-(4-acetylcyclohexyl)-4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]oxy-N-(3,5-dichlorophenyl)acetamide
SMILESCC(=O)C1CCC(N2CCC(OCC(=O)Nc3cc(Cl)cc(Cl)c3)(c3ccc(-c4cccc(C#N)c4)cc3)CC2)CC1
InChIInChI=1S/C34H35Cl2N3O3/c1-23(40)25-7-11-32(12-8-25)39-15-13-34(14-16-39,42-22-33(41)38-31-19-29(35)18-30(36)20-31)28-9-5-26(6-10-28)27-4-2-3-24(17-27)21-37/h2-6,9-10,17-20,25,32H,7-8,11-16,22H2,1H3,(H,38,41)
InChIKeyVMVPIIXTHGCAKL-UHFFFAOYSA-N
MW604.58 g/mol
LogP7.63
Rot. Bonds8

About 2-[1-(4-acetylcyclohexyl)-4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]oxy-N-(3,5-dichlorophenyl)acetamide

2-[1-(4-acetylcyclohexyl)-4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]oxy-N-(3,5-dichlorophenyl)acetamide (PubChem CID 20608932) has the molecular formula C34H35Cl2N3O3 and a molecular weight of 604.58 g/mol. Its IUPAC name is 2-[1-(4-acetylcyclohexyl)-4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]oxy-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-acetylcyclohexyl)-4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]oxy-N-(3,5-dichlorophenyl)acetamide
PubChem CID20608932
Molecular FormulaC34H35Cl2N3O3
Molecular Weight604.58 g/mol
Exact Mass603.21
IUPAC Name2-[1-(4-acetylcyclohexyl)-4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]oxy-N-(3,5-dichlorophenyl)acetamide
SMILESCC(=O)C1CCC(N2CCC(OCC(=O)Nc3cc(Cl)cc(Cl)c3)(c3ccc(-c4cccc(C#N)c4)cc3)CC2)CC1
InChIInChI=1S/C34H35Cl2N3O3/c1-23(40)25-7-11-32(12-8-25)39-15-13-34(14-16-39,42-22-33(41)38-31-19-29(35)18-30(36)20-31)28-9-5-26(6-10-28)27-4-2-3-24(17-27)21-37/h2-6,9-10,17-20,25,32H,7-8,11-16,22H2,1H3,(H,38,41)
InChIKeyVMVPIIXTHGCAKL-UHFFFAOYSA-N
XLogP7.63
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.58
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-(3-cyanophenyl)phenyl]-1-[3-(trifluoromethyl)cyclohexyl]piperidin-4-yl]oxy-N-(3,5-dichlorophenyl)acetamide
CID 20608953
2-[4-[4-(3-cyanophenyl)phenyl]-1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]oxy-N-(3,5-dichlorophenyl)acetamide
CID 10240226
methyl 4-[[4-[4-(3-cyanophenyl)phenyl]-4-[2-(3,5-dichloroanilino)-2-oxoethoxy]piperidin-1-yl]methyl]benzoate
CID 10240193
2-[1-(1-benzothiophen-3-ylmethyl)-4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]oxy-N-(3,5-dichlorophenyl)acetamide;2-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]oxy-N-(3,5-dichlorophenyl)acetamide;2-[4-[4-(3-cyanophenyl)phenyl]-1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]oxy-N-(3,5-dichlorophenyl)acetamide
CID 160713997
2-[[4-[4-(3-cyanophenyl)phenyl]-1-(thian-4-yl)piperidin-4-yl]amino]-N-(3,5-dichlorophenyl)acetamide
CID 59107070
2-[4-[4-(3-cyanophenyl)phenyl]-1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidin-4-yl]oxy-N-(3,5-dichlorophenyl)acetamide
CID 10197028
2-[4-[4-(3-cyanophenyl)phenyl]-1-(1H-indol-3-ylmethyl)piperidin-4-yl]oxy-N-(3,5-dichlorophenyl)acetamide
CID 20608945
2-[1-(cyclopropylmethyl)-4-[4-(3-isocyanophenyl)phenyl]piperidin-4-yl]oxy-N-(3,5-dichlorophenyl)acetamide
CID 20608944
tert-butyl 4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-4-[4-(3-isocyanophenyl)phenyl]piperidine-1-carboxylate
CID 20609031
1-[[4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]methyl]-3-(3,5-dichlorophenyl)urea
CID 70906882
2-[6-(3-cyanophenyl)-1'-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]-N-(3,5-dichlorophenyl)acetamide
CID 11756387
2-[6-(3-cyanophenyl)-1'-cyclobutylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]-N-(3,5-dimethylphenyl)acetamide
CID 142847086

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-acetylcyclohexyl)-4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]oxy-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[1-(4-acetylcyclohexyl)-4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]oxy-N-(3,5-dichlorophenyl)acetamide (CID 20608932) is 2-[1-(4-acetylcyclohexyl)-4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]oxy-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[1-(4-acetylcyclohexyl)-4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]oxy-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[1-(4-acetylcyclohexyl)-4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]oxy-N-(3,5-dichlorophenyl)acetamide is CC(=O)C1CCC(N2CCC(OCC(=O)Nc3cc(Cl)cc(Cl)c3)(c3ccc(-c4cccc(C#N)c4)cc3)CC2)CC1.
What is the InChIKey of 2-[1-(4-acetylcyclohexyl)-4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]oxy-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is VMVPIIXTHGCAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35Cl2N3O3/c1-23(40)25-7-11-32(12-8-25)39-15-13-34(14-16-39,42-22-33(41)38-31-19-29(35)18-30(36)20-31)28-9-5-26(6-10-28)27-4-2-3-24(17-27)21-37/h2-6,9-10,17-20,25,32H,7-8,11-16,22H2,1H3,(H,38,41).
What are the key properties of 2-[1-(4-acetylcyclohexyl)-4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]oxy-N-(3,5-dichlorophenyl)acetamide?
2-[1-(4-acetylcyclohexyl)-4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]oxy-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 604.58 g/mol, XLogP of 7.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-acetylcyclohexyl)-4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]oxy-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 20608932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).