4-[4-[4-(3-ethoxyphenyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide

C32H30F3N3O3 — CID 169273139

IUPAC4-[4-[4-(3-ethoxyphenyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCOc1cccc(-c2ccc(C(=O)N3CCN(c4ccc(C(=O)NCC(F)(F)F)cc4)CC3)c3ccccc23)c1
InChIInChI=1S/C32H30F3N3O3/c1-2-41-25-7-5-6-23(20-25)26-14-15-29(28-9-4-3-8-27(26)28)31(40)38-18-16-37(17-19-38)24-12-10-22(11-13-24)30(39)36-21-32(33,34)35/h3-15,20H,2,16-19,21H2,1H3,(H,36,39)
InChIKeyJBUNMXQAYQBKMJ-UHFFFAOYSA-N
MW561.60 g/mol
LogP6.16
Rot. Bonds7

About 4-[4-[4-(3-ethoxyphenyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide

4-[4-[4-(3-ethoxyphenyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 169273139) has the molecular formula C32H30F3N3O3 and a molecular weight of 561.60 g/mol. Its IUPAC name is 4-[4-[4-(3-ethoxyphenyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[4-[4-(3-ethoxyphenyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID169273139
Molecular FormulaC32H30F3N3O3
Molecular Weight561.60 g/mol
Exact Mass561.22
IUPAC Name4-[4-[4-(3-ethoxyphenyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCOc1cccc(-c2ccc(C(=O)N3CCN(c4ccc(C(=O)NCC(F)(F)F)cc4)CC3)c3ccccc23)c1
InChIInChI=1S/C32H30F3N3O3/c1-2-41-25-7-5-6-23(20-25)26-14-15-29(28-9-4-3-8-27(26)28)31(40)38-18-16-37(17-19-38)24-12-10-22(11-13-24)30(39)36-21-32(33,34)35/h3-15,20H,2,16-19,21H2,1H3,(H,36,39)
InChIKeyJBUNMXQAYQBKMJ-UHFFFAOYSA-N
XLogP6.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.60
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[3-[2-(3-ethoxyphenyl)phenyl]propanoyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 169272402
4-[4-[2-[2-(3-ethoxyphenyl)ethynyl]benzoyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 169272202
4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide
CID 169271309
4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide
CID 169273112
6-[4-[4-(3-ethoxyphenyl)-3-methylbenzoyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 169273211
4-[4-[4-(3-hydroxyphenyl)naphthalene-1-carbonyl]piperazin-1-yl]benzoic acid
CID 169272421
N-(1-adamantylmethyl)-6-[4-[4-(3-ethoxyphenyl)naphthalene-1-carbonyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 169270996
4-[4-[[4-(3-ethoxyphenyl)-3-fluorophenyl]methyl]piperazin-1-yl]-N-propylbenzamide
CID 169270928
4-[4-[3-[2-(5-ethoxy-3-pyridinyl)ethynyl]-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 169271114
[2-(3-ethoxyphenyl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4141764
4-[4-[3-fluoro-4-(3-hydroxyphenyl)benzoyl]piperazin-1-yl]-N-propylbenzamide
CID 169272756
1-[4-[4-[[2-(3-ethoxyphenyl)phenyl]methyl]piperazin-1-yl]phenyl]ethanone
CID 171442940

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3-ethoxyphenyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[4-[4-(3-ethoxyphenyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide (CID 169273139) is 4-[4-[4-(3-ethoxyphenyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[4-[4-(3-ethoxyphenyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[4-[4-(3-ethoxyphenyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide is CCOc1cccc(-c2ccc(C(=O)N3CCN(c4ccc(C(=O)NCC(F)(F)F)cc4)CC3)c3ccccc23)c1.
What is the InChIKey of 4-[4-[4-(3-ethoxyphenyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is JBUNMXQAYQBKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F3N3O3/c1-2-41-25-7-5-6-23(20-25)26-14-15-29(28-9-4-3-8-27(26)28)31(40)38-18-16-37(17-19-38)24-12-10-22(11-13-24)30(39)36-21-32(33,34)35/h3-15,20H,2,16-19,21H2,1H3,(H,36,39).
What are the key properties of 4-[4-[4-(3-ethoxyphenyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[4-[4-(3-ethoxyphenyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 561.60 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3-ethoxyphenyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 169273139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).