N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide

C28H36FN3O2 — CID 42710160

IUPACN-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N(CCN1CCN(C(=O)C2CCCCC2)CC1)Cc1ccc(F)cc1
InChIInChI=1S/C28H36FN3O2/c29-26-13-11-24(12-14-26)22-32(27(33)21-23-7-3-1-4-8-23)20-17-30-15-18-31(19-16-30)28(34)25-9-5-2-6-10-25/h1,3-4,7-8,11-14,25H,2,5-6,9-10,15-22H2
InChIKeyFXZPJUUZAQADCS-UHFFFAOYSA-N
MW465.61 g/mol
LogP4.12
Rot. Bonds8

About N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide

N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide (PubChem CID 42710160) has the molecular formula C28H36FN3O2 and a molecular weight of 465.61 g/mol. Its IUPAC name is N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
PubChem CID42710160
Molecular FormulaC28H36FN3O2
Molecular Weight465.61 g/mol
Exact Mass465.28
IUPAC NameN-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N(CCN1CCN(C(=O)C2CCCCC2)CC1)Cc1ccc(F)cc1
InChIInChI=1S/C28H36FN3O2/c29-26-13-11-24(12-14-26)22-32(27(33)21-23-7-3-1-4-8-23)20-17-30-15-18-31(19-16-30)28(34)25-9-5-2-6-10-25/h1,3-4,7-8,11-14,25H,2,5-6,9-10,15-22H2
InChIKeyFXZPJUUZAQADCS-UHFFFAOYSA-N
XLogP4.12
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.61
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 42710174
N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 42710155
N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]pentanamide
CID 42709623
N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide
CID 42697562
4-[2-[cyclohexanecarbonyl-[(4-fluorophenyl)methyl]amino]ethyl]-N-(2-methylphenyl)piperazine-1-carboxamide
CID 42709601
N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide
CID 110670044
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 110364750
4-[2-[cyclohexanecarbonyl-[(4-fluorophenyl)methyl]amino]ethyl]-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 42709597
N-[(4-fluorophenyl)methyl]-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]-2-thiophen-2-ylacetamide
CID 42710253
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 134032079
4-[2-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]ethyl]-N-phenylpiperazine-1-carboxamide
CID 42709554
2-(4-fluorophenyl)-1-[3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 55740764

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide?
The IUPAC name of N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide (CID 42710160) is N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide is O=C(Cc1ccccc1)N(CCN1CCN(C(=O)C2CCCCC2)CC1)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide?
The InChIKey is FXZPJUUZAQADCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FN3O2/c29-26-13-11-24(12-14-26)22-32(27(33)21-23-7-3-1-4-8-23)20-17-30-15-18-31(19-16-30)28(34)25-9-5-2-6-10-25/h1,3-4,7-8,11-14,25H,2,5-6,9-10,15-22H2.
What are the key properties of N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide?
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide has a molecular weight of 465.61 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 42710160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).