[4-[4-(5-chloro-3-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

C21H22ClN3O3 — CID 86274440

IUPAC[4-[4-(5-chloro-3-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESO=C(c1ccc(-c2cncc(Cl)c2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C21H22ClN3O3/c22-18-12-17(13-23-14-18)15-3-5-16(6-4-15)20(26)24-7-9-25(10-8-24)21(27)19-2-1-11-28-19/h3-6,12-14,19H,1-2,7-11H2/t19-/m0/s1
InChIKeyOQLSIYPAYMSSLP-IBGZPJMESA-N
MW399.88 g/mol
LogP2.87
Rot. Bonds3

About [4-[4-(5-chloro-3-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

[4-[4-(5-chloro-3-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (PubChem CID 86274440) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is [4-[4-(5-chloro-3-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-[4-(5-chloro-3-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
PubChem CID86274440
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name[4-[4-(5-chloro-3-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESO=C(c1ccc(-c2cncc(Cl)c2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C21H22ClN3O3/c22-18-12-17(13-23-14-18)15-3-5-16(6-4-15)20(26)24-7-9-25(10-8-24)21(27)19-2-1-11-28-19/h3-6,12-14,19H,1-2,7-11H2/t19-/m0/s1
InChIKeyOQLSIYPAYMSSLP-IBGZPJMESA-N
XLogP2.87
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[4-(5-chloro-3-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-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

[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
[4-[4-(5-chloro-2-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86274435
[4-[4-(2-methoxypyrimidin-5-yl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86274684
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51162607
[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 119267990
[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40704929
[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 4878720
oxolan-2-yl-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]methanone
CID 110801198
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51160163
cyclopropyl 3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzoate
CID 139377347
[4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113080191

Frequently Asked Questions

What is the IUPAC name of [4-[4-(5-chloro-3-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of [4-[4-(5-chloro-3-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (CID 86274440) is [4-[4-(5-chloro-3-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-[4-(5-chloro-3-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for [4-[4-(5-chloro-3-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is O=C(c1ccc(-c2cncc(Cl)c2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1.
What is the InChIKey of [4-[4-(5-chloro-3-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The InChIKey is OQLSIYPAYMSSLP-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22ClN3O3/c22-18-12-17(13-23-14-18)15-3-5-16(6-4-15)20(26)24-7-9-25(10-8-24)21(27)19-2-1-11-28-19/h3-6,12-14,19H,1-2,7-11H2/t19-/m0/s1.
What are the key properties of [4-[4-(5-chloro-3-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
[4-[4-(5-chloro-3-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone has a molecular weight of 399.88 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(5-chloro-3-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 86274440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).