[1-(3,4-difluorobenzoyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone

C23H25F2N3O2 — CID 90513799

IUPAC[1-(3,4-difluorobenzoyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CC(C(=O)N2CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C23H25F2N3O2/c24-20-7-6-18(14-21(20)25)22(29)28-15-19(16-28)23(30)27-12-10-26(11-13-27)9-8-17-4-2-1-3-5-17/h1-7,14,19H,8-13,15-16H2
InChIKeyPNLJXAVUCXYYJU-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.42
Rot. Bonds5

About [1-(3,4-difluorobenzoyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone

[1-(3,4-difluorobenzoyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 90513799) has the molecular formula C23H25F2N3O2 and a molecular weight of 413.47 g/mol. Its IUPAC name is [1-(3,4-difluorobenzoyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3,4-difluorobenzoyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID90513799
Molecular FormulaC23H25F2N3O2
Molecular Weight413.47 g/mol
Exact Mass413.19
IUPAC Name[1-(3,4-difluorobenzoyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CC(C(=O)N2CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C23H25F2N3O2/c24-20-7-6-18(14-21(20)25)22(29)28-15-19(16-28)23(30)27-12-10-26(11-13-27)9-8-17-4-2-1-3-5-17/h1-7,14,19H,8-13,15-16H2
InChIKeyPNLJXAVUCXYYJU-UHFFFAOYSA-N
XLogP2.42
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(3,4-difluorobenzoyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-difluorophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658326
(3,4-difluorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658185
[1-(3,4-difluorobenzoyl)azetidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 56724435
N-benzyl-1-(3,4-difluorobenzoyl)-N-methylazetidine-3-carboxamide
CID 90513547
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 90511889
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanoic acid;hydrochloride
CID 154739595
[1-(3,4-difluorobenzoyl)azetidin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 52907494
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 55719269
(3-bromo-5-fluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 55706709
(4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94092841
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;hydrochloride
CID 120631837
3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881239

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-difluorobenzoyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(3,4-difluorobenzoyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 90513799) is [1-(3,4-difluorobenzoyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(3,4-difluorobenzoyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(3,4-difluorobenzoyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CC(C(=O)N2CCN(CCc3ccccc3)CC2)C1.
What is the InChIKey of [1-(3,4-difluorobenzoyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is PNLJXAVUCXYYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O2/c24-20-7-6-18(14-21(20)25)22(29)28-15-19(16-28)23(30)27-12-10-26(11-13-27)9-8-17-4-2-1-3-5-17/h1-7,14,19H,8-13,15-16H2.
What are the key properties of [1-(3,4-difluorobenzoyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
[1-(3,4-difluorobenzoyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 413.47 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-difluorobenzoyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 90513799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).