N-[(4-fluorophenyl)methyl]-N-[2-(4-heptanoylpiperazin-1-yl)ethyl]pentanamide

C25H40FN3O2 — CID 42709634

IUPACN-[(4-fluorophenyl)methyl]-N-[2-(4-heptanoylpiperazin-1-yl)ethyl]pentanamide
SMILESCCCCCCC(=O)N1CCN(CCN(Cc2ccc(F)cc2)C(=O)CCCC)CC1
InChIInChI=1S/C25H40FN3O2/c1-3-5-7-8-10-24(30)28-18-15-27(16-19-28)17-20-29(25(31)9-6-4-2)21-22-11-13-23(26)14-12-22/h11-14H,3-10,15-21H2,1-2H3
InChIKeyLHYZIYWCAMJGBQ-UHFFFAOYSA-N
MW433.61 g/mol
LogP4.46
Rot. Bonds13

About N-[(4-fluorophenyl)methyl]-N-[2-(4-heptanoylpiperazin-1-yl)ethyl]pentanamide

N-[(4-fluorophenyl)methyl]-N-[2-(4-heptanoylpiperazin-1-yl)ethyl]pentanamide (PubChem CID 42709634) has the molecular formula C25H40FN3O2 and a molecular weight of 433.61 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[2-(4-heptanoylpiperazin-1-yl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[2-(4-heptanoylpiperazin-1-yl)ethyl]pentanamide
PubChem CID42709634
Molecular FormulaC25H40FN3O2
Molecular Weight433.61 g/mol
Exact Mass433.31
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[2-(4-heptanoylpiperazin-1-yl)ethyl]pentanamide
SMILESCCCCCCC(=O)N1CCN(CCN(Cc2ccc(F)cc2)C(=O)CCCC)CC1
InChIInChI=1S/C25H40FN3O2/c1-3-5-7-8-10-24(30)28-18-15-27(16-19-28)17-20-29(25(31)9-6-4-2)21-22-11-13-23(26)14-12-22/h11-14H,3-10,15-21H2,1-2H3
InChIKeyLHYZIYWCAMJGBQ-UHFFFAOYSA-N
XLogP4.46
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.61
LogP ≤ 54.46
H-Bond Donors ≤ 50
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-fluorophenyl)methyl]-N-[2-(4-propanoylpiperazin-1-yl)ethyl]hexanamide
CID 42710183
1-[(4-fluorophenyl)methyl]-1-[2-(4-nonanoylpiperazin-1-yl)ethyl]-3-propan-2-ylurea
CID 42709552
N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]pentanamide
CID 42709623
N-(2,6-dimethylphenyl)-4-[2-[(4-fluorophenyl)methyl-pentanoylamino]ethyl]piperazine-1-carboxamide
CID 42711009
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110290585
1-[4-[3-(4-fluorophenyl)propyl]piperazin-1-yl]butan-1-one
CID 110413582
1-[(4-fluorophenyl)methyl]-3-octyl-1-[2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethyl]urea
CID 42724750
1-[(4-fluorophenyl)methyl]-1-[2-[4-(4-methylbenzoyl)piperazin-1-yl]ethyl]-3-octylurea
CID 42657771
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880
1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one
CID 78848555
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051
N-[2-[4-(4-butylbenzoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2,2-dimethylpropanamide
CID 42710143

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[2-(4-heptanoylpiperazin-1-yl)ethyl]pentanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[2-(4-heptanoylpiperazin-1-yl)ethyl]pentanamide (CID 42709634) is N-[(4-fluorophenyl)methyl]-N-[2-(4-heptanoylpiperazin-1-yl)ethyl]pentanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[2-(4-heptanoylpiperazin-1-yl)ethyl]pentanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[2-(4-heptanoylpiperazin-1-yl)ethyl]pentanamide is CCCCCCC(=O)N1CCN(CCN(Cc2ccc(F)cc2)C(=O)CCCC)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[2-(4-heptanoylpiperazin-1-yl)ethyl]pentanamide?
The InChIKey is LHYZIYWCAMJGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40FN3O2/c1-3-5-7-8-10-24(30)28-18-15-27(16-19-28)17-20-29(25(31)9-6-4-2)21-22-11-13-23(26)14-12-22/h11-14H,3-10,15-21H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[2-(4-heptanoylpiperazin-1-yl)ethyl]pentanamide?
N-[(4-fluorophenyl)methyl]-N-[2-(4-heptanoylpiperazin-1-yl)ethyl]pentanamide has a molecular weight of 433.61 g/mol, XLogP of 4.46, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[2-(4-heptanoylpiperazin-1-yl)ethyl]pentanamide is sourced from PubChem (CID 42709634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).