N-[4-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide

C23H22F3N3O3 — CID 46415747

IUPACN-[4-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1)C1CC1
InChIInChI=1S/C23H22F3N3O3/c24-23(25,26)19-4-2-1-3-18(19)22(32)29-13-11-28(12-14-29)21(31)16-7-9-17(10-8-16)27-20(30)15-5-6-15/h1-4,7-10,15H,5-6,11-14H2,(H,27,30)
InChIKeyMEYBZOMAHNDVME-UHFFFAOYSA-N
MW445.44 g/mol
LogP3.65
Rot. Bonds4

About N-[4-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide

N-[4-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide (PubChem CID 46415747) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is N-[4-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
PubChem CID46415747
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC NameN-[4-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1)C1CC1
InChIInChI=1S/C23H22F3N3O3/c24-23(25,26)19-4-2-1-3-18(19)22(32)29-13-11-28(12-14-29)21(31)16-7-9-17(10-8-16)27-20(30)15-5-6-15/h1-4,7-10,15H,5-6,11-14H2,(H,27,30)
InChIKeyMEYBZOMAHNDVME-UHFFFAOYSA-N
XLogP3.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46599278
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010
(4-fluorophenyl)-[4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 108544244
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 134061665
1-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 7961983
(3,4-difluorophenyl)-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 46424509
N-[2-(pyrrolidine-1-carbonyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46543754
[4-(diethylaminomethyl)phenyl]-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 55652403
[4-(dimethylamino)phenyl]-[4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 108547591
N-pyridin-4-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41373176

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide (CID 46415747) is N-[4-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(C(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1)C1CC1.
What is the InChIKey of N-[4-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide?
The InChIKey is MEYBZOMAHNDVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3/c24-23(25,26)19-4-2-1-3-18(19)22(32)29-13-11-28(12-14-29)21(31)16-7-9-17(10-8-16)27-20(30)15-5-6-15/h1-4,7-10,15H,5-6,11-14H2,(H,27,30).
What are the key properties of N-[4-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide?
N-[4-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide has a molecular weight of 445.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46415747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).