N-[4-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]phenyl]-4,4,4-trifluorobutanamide

C25H27F3N4O3 — CID 59625912

IUPACN-[4-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]phenyl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)Nc1ccc(C(=O)N2CC(N3CCN(C(=O)c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C25H27F3N4O3/c26-25(27,28)11-10-22(33)29-20-8-6-19(7-9-20)24(35)32-16-21(17-32)30-12-14-31(15-13-30)23(34)18-4-2-1-3-5-18/h1-9,21H,10-17H2,(H,29,33)
InChIKeyVIBOWPSOQCNVLG-UHFFFAOYSA-N
MW488.51 g/mol
LogP3.25
Rot. Bonds6

About N-[4-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]phenyl]-4,4,4-trifluorobutanamide

N-[4-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]phenyl]-4,4,4-trifluorobutanamide (PubChem CID 59625912) has the molecular formula C25H27F3N4O3 and a molecular weight of 488.51 g/mol. Its IUPAC name is N-[4-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]phenyl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[4-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]phenyl]-4,4,4-trifluorobutanamide
PubChem CID59625912
Molecular FormulaC25H27F3N4O3
Molecular Weight488.51 g/mol
Exact Mass488.20
IUPAC NameN-[4-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]phenyl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)Nc1ccc(C(=O)N2CC(N3CCN(C(=O)c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C25H27F3N4O3/c26-25(27,28)11-10-22(33)29-20-8-6-19(7-9-20)24(35)32-16-21(17-32)30-12-14-31(15-13-30)23(34)18-4-2-1-3-5-18/h1-9,21H,10-17H2,(H,29,33)
InChIKeyVIBOWPSOQCNVLG-UHFFFAOYSA-N
XLogP3.25
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]phenyl]-4,4,4-trifluorobutanamide with MolForge

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Related Compounds

[4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 59625892
3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide
CID 91913390
[4-[1-[4-(naphthalen-2-ylmethylamino)benzoyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 59625930
[4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 66840390
phenyl-[4-[1-[3-[4-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]piperazin-1-yl]methanone
CID 66839871
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 110602623
N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzamide
CID 86958179
N-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide
CID 47063386
N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide
CID 1055921
[4-[1-(2-aminopropan-2-yl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 147395489
1-[4-[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]piperazin-1-yl]ethanone
CID 84582681

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]phenyl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[4-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]phenyl]-4,4,4-trifluorobutanamide (CID 59625912) is N-[4-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]phenyl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[4-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]phenyl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[4-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]phenyl]-4,4,4-trifluorobutanamide is O=C(CCC(F)(F)F)Nc1ccc(C(=O)N2CC(N3CCN(C(=O)c4ccccc4)CC3)C2)cc1.
What is the InChIKey of N-[4-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]phenyl]-4,4,4-trifluorobutanamide?
The InChIKey is VIBOWPSOQCNVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O3/c26-25(27,28)11-10-22(33)29-20-8-6-19(7-9-20)24(35)32-16-21(17-32)30-12-14-31(15-13-30)23(34)18-4-2-1-3-5-18/h1-9,21H,10-17H2,(H,29,33).
What are the key properties of N-[4-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]phenyl]-4,4,4-trifluorobutanamide?
N-[4-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]phenyl]-4,4,4-trifluorobutanamide has a molecular weight of 488.51 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]phenyl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 59625912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).