1-(2-chlorobenzoyl)-N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]piperidine-4-carboxamide

C34H37ClFN3O3 — CID 46105688

IUPAC1-(2-chlorobenzoyl)-N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]piperidine-4-carboxamide
SMILESCc1cccc(CN(C(=O)c2ccc(F)cc2)C2CCC(NC(=O)C3CCN(C(=O)c4ccccc4Cl)CC3)CC2)c1
InChIInChI=1S/C34H37ClFN3O3/c1-23-5-4-6-24(21-23)22-39(33(41)26-9-11-27(36)12-10-26)29-15-13-28(14-16-29)37-32(40)25-17-19-38(20-18-25)34(42)30-7-2-3-8-31(30)35/h2-12,21,25,28-29H,13-20,22H2,1H3,(H,37,40)
InChIKeyFSVCGSUSLFFCDK-UHFFFAOYSA-N
MW590.14 g/mol
LogP6.41
Rot. Bonds7

About 1-(2-chlorobenzoyl)-N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]piperidine-4-carboxamide

1-(2-chlorobenzoyl)-N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]piperidine-4-carboxamide (PubChem CID 46105688) has the molecular formula C34H37ClFN3O3 and a molecular weight of 590.14 g/mol. Its IUPAC name is 1-(2-chlorobenzoyl)-N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorobenzoyl)-N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]piperidine-4-carboxamide
PubChem CID46105688
Molecular FormulaC34H37ClFN3O3
Molecular Weight590.14 g/mol
Exact Mass589.25
IUPAC Name1-(2-chlorobenzoyl)-N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]piperidine-4-carboxamide
SMILESCc1cccc(CN(C(=O)c2ccc(F)cc2)C2CCC(NC(=O)C3CCN(C(=O)c4ccccc4Cl)CC3)CC2)c1
InChIInChI=1S/C34H37ClFN3O3/c1-23-5-4-6-24(21-23)22-39(33(41)26-9-11-27(36)12-10-26)29-15-13-28(14-16-29)37-32(40)25-17-19-38(20-18-25)34(42)30-7-2-3-8-31(30)35/h2-12,21,25,28-29H,13-20,22H2,1H3,(H,37,40)
InChIKeyFSVCGSUSLFFCDK-UHFFFAOYSA-N
XLogP6.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.14
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chlorobenzoyl)-N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 46105694
1-(benzenesulfonyl)-N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]piperidine-4-carboxamide
CID 46105734
N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-hexanoylpiperidine-4-carboxamide
CID 46105695
N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 46171570
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549660
1-(2-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide
CID 1072799
N-[4-[benzyl-(4-methoxybenzoyl)amino]cyclohexyl]-1-(3-chloropropanoyl)piperidine-4-carboxamide
CID 46105732
1-(2-chlorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
CID 1072829
N-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46461988
1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 801213
N-[(4-fluorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 7935481
N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113005452

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorobenzoyl)-N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-chlorobenzoyl)-N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]piperidine-4-carboxamide (CID 46105688) is 1-(2-chlorobenzoyl)-N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chlorobenzoyl)-N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chlorobenzoyl)-N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]piperidine-4-carboxamide is Cc1cccc(CN(C(=O)c2ccc(F)cc2)C2CCC(NC(=O)C3CCN(C(=O)c4ccccc4Cl)CC3)CC2)c1.
What is the InChIKey of 1-(2-chlorobenzoyl)-N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]piperidine-4-carboxamide?
The InChIKey is FSVCGSUSLFFCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37ClFN3O3/c1-23-5-4-6-24(21-23)22-39(33(41)26-9-11-27(36)12-10-26)29-15-13-28(14-16-29)37-32(40)25-17-19-38(20-18-25)34(42)30-7-2-3-8-31(30)35/h2-12,21,25,28-29H,13-20,22H2,1H3,(H,37,40).
What are the key properties of 1-(2-chlorobenzoyl)-N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]piperidine-4-carboxamide?
1-(2-chlorobenzoyl)-N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]piperidine-4-carboxamide has a molecular weight of 590.14 g/mol, XLogP of 6.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorobenzoyl)-N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 46105688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).