2-(4-fluorophenyl)-N-[[4-[4-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]acetamide

C33H32FN3O2 — CID 72723461

IUPAC2-(4-fluorophenyl)-N-[[4-[4-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCc1ccc(C(=O)N2CCN(Cc3cccc(-c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C33H32FN3O2/c34-31-15-11-25(12-16-31)22-32(38)35-23-26-9-13-29(14-10-26)33(39)37-19-17-36(18-20-37)24-27-5-4-8-30(21-27)28-6-2-1-3-7-28/h1-16,21H,17-20,22-24H2,(H,35,38)
InChIKeyNXPSODIDNMLZPU-UHFFFAOYSA-N
MW521.64 g/mol
LogP5.31
Rot. Bonds8

About 2-(4-fluorophenyl)-N-[[4-[4-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]acetamide

2-(4-fluorophenyl)-N-[[4-[4-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]acetamide (PubChem CID 72723461) has the molecular formula C33H32FN3O2 and a molecular weight of 521.64 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[4-[4-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[4-[4-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]acetamide
PubChem CID72723461
Molecular FormulaC33H32FN3O2
Molecular Weight521.64 g/mol
Exact Mass521.25
IUPAC Name2-(4-fluorophenyl)-N-[[4-[4-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCc1ccc(C(=O)N2CCN(Cc3cccc(-c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C33H32FN3O2/c34-31-15-11-25(12-16-31)22-32(38)35-23-26-9-13-29(14-10-26)33(39)37-19-17-36(18-20-37)24-27-5-4-8-30(21-27)28-6-2-1-3-7-28/h1-16,21H,17-20,22-24H2,(H,35,38)
InChIKeyNXPSODIDNMLZPU-UHFFFAOYSA-N
XLogP5.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.64
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 828785
N-(benzylcarbamoyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
CID 36875811
(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366010
N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 155292939
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
N-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 42858918
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea
CID 17439386
2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 46294982
2-(2-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159675
(3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 9397599
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 36877786
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 60514264

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[[4-[4-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[[4-[4-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]acetamide (CID 72723461) is 2-(4-fluorophenyl)-N-[[4-[4-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[4-[4-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[4-[4-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]acetamide is O=C(Cc1ccc(F)cc1)NCc1ccc(C(=O)N2CCN(Cc3cccc(-c4ccccc4)c3)CC2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[4-[4-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]acetamide?
The InChIKey is NXPSODIDNMLZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FN3O2/c34-31-15-11-25(12-16-31)22-32(38)35-23-26-9-13-29(14-10-26)33(39)37-19-17-36(18-20-37)24-27-5-4-8-30(21-27)28-6-2-1-3-7-28/h1-16,21H,17-20,22-24H2,(H,35,38).
What are the key properties of 2-(4-fluorophenyl)-N-[[4-[4-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]acetamide?
2-(4-fluorophenyl)-N-[[4-[4-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]acetamide has a molecular weight of 521.64 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[4-[4-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]acetamide is sourced from PubChem (CID 72723461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).