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

C27H34FN3O2 — CID 42710174

IUPACN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N(CCN1CCN(C(=O)C2CCCC2)CC1)Cc1ccc(F)cc1
InChIInChI=1S/C27H34FN3O2/c28-25-12-10-23(11-13-25)21-31(26(32)20-22-6-2-1-3-7-22)19-16-29-14-17-30(18-15-29)27(33)24-8-4-5-9-24/h1-3,6-7,10-13,24H,4-5,8-9,14-21H2
InChIKeyMMBWCIKRHXASEI-UHFFFAOYSA-N
MW451.59 g/mol
LogP3.73
Rot. Bonds8

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

N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide (PubChem CID 42710174) has the molecular formula C27H34FN3O2 and a molecular weight of 451.59 g/mol. Its IUPAC name is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
PubChem CID42710174
Molecular FormulaC27H34FN3O2
Molecular Weight451.59 g/mol
Exact Mass451.26
IUPAC NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N(CCN1CCN(C(=O)C2CCCC2)CC1)Cc1ccc(F)cc1
InChIInChI=1S/C27H34FN3O2/c28-25-12-10-23(11-13-25)21-31(26(32)20-22-6-2-1-3-7-22)19-16-29-14-17-30(18-15-29)27(33)24-8-4-5-9-24/h1-3,6-7,10-13,24H,4-5,8-9,14-21H2
InChIKeyMMBWCIKRHXASEI-UHFFFAOYSA-N
XLogP3.73
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide 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-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 42710160
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
N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide
CID 110670044
4-[2-[cyclohexanecarbonyl-[(4-fluorophenyl)methyl]amino]ethyl]-N-(2-methylphenyl)piperazine-1-carboxamide
CID 42709601
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 110364750
N-[(4-fluorophenyl)methyl]-N-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]-2-thiophen-2-ylacetamide
CID 42710253
4-[2-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]ethyl]-N-phenylpiperazine-1-carboxamide
CID 42709554
4-[2-[cyclohexanecarbonyl-[(4-fluorophenyl)methyl]amino]ethyl]-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 42709597
N-benzyl-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 78781458
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide?
The IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide (CID 42710174) is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide is O=C(Cc1ccccc1)N(CCN1CCN(C(=O)C2CCCC2)CC1)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide?
The InChIKey is MMBWCIKRHXASEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN3O2/c28-25-12-10-23(11-13-25)21-31(26(32)20-22-6-2-1-3-7-22)19-16-29-14-17-30(18-15-29)27(33)24-8-4-5-9-24/h1-3,6-7,10-13,24H,4-5,8-9,14-21H2.
What are the key properties of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide?
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide has a molecular weight of 451.59 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 42710174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).