N-(4-fluorophenyl)-N-[[4-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide

C32H38FN3O2 — CID 134537223

IUPACN-(4-fluorophenyl)-N-[[4-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide
SMILESCCCCC(=O)N(Cc1ccc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)cc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C32H38FN3O2/c1-4-5-6-31(37)36(30-17-15-29(33)16-18-30)23-25-7-9-26(10-8-25)27-11-13-28(14-12-27)32(38)35-21-19-34(20-22-35)24(2)3/h7-18,24H,4-6,19-23H2,1-3H3
InChIKeyCURUNRNVMUWRBF-UHFFFAOYSA-N
MW515.67 g/mol
LogP6.38
Rot. Bonds9

About N-(4-fluorophenyl)-N-[[4-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide

N-(4-fluorophenyl)-N-[[4-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide (PubChem CID 134537223) has the molecular formula C32H38FN3O2 and a molecular weight of 515.67 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[[4-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[[4-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide
PubChem CID134537223
Molecular FormulaC32H38FN3O2
Molecular Weight515.67 g/mol
Exact Mass515.29
IUPAC NameN-(4-fluorophenyl)-N-[[4-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide
SMILESCCCCC(=O)N(Cc1ccc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)cc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C32H38FN3O2/c1-4-5-6-31(37)36(30-17-15-29(33)16-18-30)23-25-7-9-26(10-8-25)27-11-13-28(14-12-27)32(38)35-21-19-34(20-22-35)24(2)3/h7-18,24H,4-6,19-23H2,1-3H3
InChIKeyCURUNRNVMUWRBF-UHFFFAOYSA-N
XLogP6.38
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.67
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-fluorophenyl)-N-[[4-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide with MolForge

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Related Compounds

N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]phenyl]methyl]-4-ethyl-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 157495310
1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one
CID 78848555
2-(4-fluorophenyl)-N-[[4-[3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide
CID 156786679
N-ethyl-N-(4-fluorophenyl)hexanamide
CID 78806862
1-[(4-fluorophenyl)methyl]-1-[2-[4-(4-phenylbenzoyl)piperazin-1-yl]ethyl]-3-propan-2-ylurea
CID 42709547
N-[2-[4-(4-butylbenzoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2,2-dimethylpropanamide
CID 42710143
N-[(4-fluorophenyl)methyl]-N-[2-(4-heptanoylpiperazin-1-yl)ethyl]pentanamide
CID 42709634
[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 119281929
N-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]butanamide
CID 87010279
N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]pentanamide
CID 42709623
1-[(4-fluorophenyl)methyl]-1-[2-[4-(4-methylbenzoyl)piperazin-1-yl]ethyl]-3-octylurea
CID 42657771
[4-[(2S)-butan-2-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 796451

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[[4-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide?
The IUPAC name of N-(4-fluorophenyl)-N-[[4-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide (CID 134537223) is N-(4-fluorophenyl)-N-[[4-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[[4-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[[4-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide is CCCCC(=O)N(Cc1ccc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)cc2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-[[4-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide?
The InChIKey is CURUNRNVMUWRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38FN3O2/c1-4-5-6-31(37)36(30-17-15-29(33)16-18-30)23-25-7-9-26(10-8-25)27-11-13-28(14-12-27)32(38)35-21-19-34(20-22-35)24(2)3/h7-18,24H,4-6,19-23H2,1-3H3.
What are the key properties of N-(4-fluorophenyl)-N-[[4-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide?
N-(4-fluorophenyl)-N-[[4-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide has a molecular weight of 515.67 g/mol, XLogP of 6.38, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[[4-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide is sourced from PubChem (CID 134537223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).