N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-hexanoylpiperidine-4-carboxamide

C33H44FN3O3 — CID 46105695

IUPACN-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-hexanoylpiperidine-4-carboxamide
SMILESCCCCCC(=O)N1CCC(C(=O)NC2CCC(N(Cc3cccc(C)c3)C(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C33H44FN3O3/c1-3-4-5-9-31(38)36-20-18-26(19-21-36)32(39)35-29-14-16-30(17-15-29)37(23-25-8-6-7-24(2)22-25)33(40)27-10-12-28(34)13-11-27/h6-8,10-13,22,26,29-30H,3-5,9,14-21,23H2,1-2H3,(H,35,39)
InChIKeyWTHGZJNEUYEGNK-UHFFFAOYSA-N
MW549.73 g/mol
LogP6.02
Rot. Bonds10

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

N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-hexanoylpiperidine-4-carboxamide (PubChem CID 46105695) has the molecular formula C33H44FN3O3 and a molecular weight of 549.73 g/mol. Its IUPAC name is N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-hexanoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-hexanoylpiperidine-4-carboxamide
PubChem CID46105695
Molecular FormulaC33H44FN3O3
Molecular Weight549.73 g/mol
Exact Mass549.34
IUPAC NameN-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-hexanoylpiperidine-4-carboxamide
SMILESCCCCCC(=O)N1CCC(C(=O)NC2CCC(N(Cc3cccc(C)c3)C(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C33H44FN3O3/c1-3-4-5-9-31(38)36-20-18-26(19-21-36)32(39)35-29-14-16-30(17-15-29)37(23-25-8-6-7-24(2)22-25)33(40)27-10-12-28(34)13-11-27/h6-8,10-13,22,26,29-30H,3-5,9,14-21,23H2,1-2H3,(H,35,39)
InChIKeyWTHGZJNEUYEGNK-UHFFFAOYSA-N
XLogP6.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.73
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 46171570
1-(2-chlorobenzoyl)-N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]piperidine-4-carboxamide
CID 46105688
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-[benzyl-(4-methoxybenzoyl)amino]cyclohexyl]-1-(3-chloropropanoyl)piperidine-4-carboxamide
CID 46105732
3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide
CID 110819545
N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113005452
2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide
CID 110819560
5-bromo-N-cyclopropyl-N-[(3-methylphenyl)methyl]pentanamide
CID 107909347
N-cyclopropyl-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
CID 45233968
1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 42878774
4-butoxy-N-[(3-methylphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779594

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-hexanoylpiperidine-4-carboxamide?
The IUPAC name of N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-hexanoylpiperidine-4-carboxamide (CID 46105695) is N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-hexanoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-hexanoylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-hexanoylpiperidine-4-carboxamide is CCCCCC(=O)N1CCC(C(=O)NC2CCC(N(Cc3cccc(C)c3)C(=O)c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-hexanoylpiperidine-4-carboxamide?
The InChIKey is WTHGZJNEUYEGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44FN3O3/c1-3-4-5-9-31(38)36-20-18-26(19-21-36)32(39)35-29-14-16-30(17-15-29)37(23-25-8-6-7-24(2)22-25)33(40)27-10-12-28(34)13-11-27/h6-8,10-13,22,26,29-30H,3-5,9,14-21,23H2,1-2H3,(H,35,39).
What are the key properties of N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-hexanoylpiperidine-4-carboxamide?
N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-hexanoylpiperidine-4-carboxamide has a molecular weight of 549.73 g/mol, XLogP of 6.02, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-hexanoylpiperidine-4-carboxamide is sourced from PubChem (CID 46105695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).