cyclopropyl 3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzoate

C25H26N2O5 — CID 139377347

IUPACcyclopropyl 3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzoate
SMILESO=C(OC1CC1)c1cccc(-c2ccc(C(=O)N3CCN(C(=O)C4CCO4)CC3)cc2)c1
InChIInChI=1S/C25H26N2O5/c28-23(26-11-13-27(14-12-26)24(29)22-10-15-31-22)18-6-4-17(5-7-18)19-2-1-3-20(16-19)25(30)32-21-8-9-21/h1-7,16,21-22H,8-15H2
InChIKeyVLAKDXJRVWUXGN-UHFFFAOYSA-N
MW434.49 g/mol
LogP2.75
Rot. Bonds5

About cyclopropyl 3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzoate

cyclopropyl 3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzoate (PubChem CID 139377347) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is cyclopropyl 3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzoate.

Molecular Properties

Compound Namecyclopropyl 3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzoate
PubChem CID139377347
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Namecyclopropyl 3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzoate
SMILESO=C(OC1CC1)c1cccc(-c2ccc(C(=O)N3CCN(C(=O)C4CCO4)CC3)cc2)c1
InChIInChI=1S/C25H26N2O5/c28-23(26-11-13-27(14-12-26)24(29)22-10-15-31-22)18-6-4-17(5-7-18)19-2-1-3-20(16-19)25(30)32-21-8-9-21/h1-7,16,21-22H,8-15H2
InChIKeyVLAKDXJRVWUXGN-UHFFFAOYSA-N
XLogP2.75
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopropyl 3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzoate 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

[4-[4-(3-chlorophenyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86272765
oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
N-[3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide
CID 118633871
[4-[4-(5-chloro-3-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86274440
[4-[4-[4-methanimidoyl-3-(methylamino)phenyl]benzoyl]piperazin-1-yl]-(oxetan-2-yl)methanone
CID 142573868
[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40704929
[4-[4-(2-methoxypyrimidin-5-yl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86274684
[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 108547614
[4-(4-ethoxybenzoyl)-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95320672
[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 119267990
[4-[4-(1-methylspiro[2H-indazole-3,1'-cyclononane]-6-yl)benzoyl]piperazin-1-yl]-(oxetan-2-yl)methanone
CID 134274095
[(2S)-oxolan-2-yl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 7346665

Frequently Asked Questions

What is the IUPAC name of cyclopropyl 3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzoate?
The IUPAC name of cyclopropyl 3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzoate (CID 139377347) is cyclopropyl 3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzoate.
What is the SMILES notation for cyclopropyl 3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzoate?
The canonical SMILES for cyclopropyl 3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzoate is O=C(OC1CC1)c1cccc(-c2ccc(C(=O)N3CCN(C(=O)C4CCO4)CC3)cc2)c1.
What is the InChIKey of cyclopropyl 3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzoate?
The InChIKey is VLAKDXJRVWUXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c28-23(26-11-13-27(14-12-26)24(29)22-10-15-31-22)18-6-4-17(5-7-18)19-2-1-3-20(16-19)25(30)32-21-8-9-21/h1-7,16,21-22H,8-15H2.
What are the key properties of cyclopropyl 3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzoate?
cyclopropyl 3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzoate has a molecular weight of 434.49 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzoate is sourced from PubChem (CID 139377347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).