oxolan-2-yl-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methanone

C22H25N3O4 — CID 47024168

IUPACoxolan-2-yl-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(OCc2cccnc2)cc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C22H25N3O4/c26-21(24-10-12-25(13-11-24)22(27)20-4-2-14-28-20)18-5-7-19(8-6-18)29-16-17-3-1-9-23-15-17/h1,3,5-9,15,20H,2,4,10-14,16H2
InChIKeyQUKLQTYVKQVSQT-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.12
Rot. Bonds5

About oxolan-2-yl-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methanone

oxolan-2-yl-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methanone (PubChem CID 47024168) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is oxolan-2-yl-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methanone
PubChem CID47024168
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Nameoxolan-2-yl-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(OCc2cccnc2)cc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C22H25N3O4/c26-21(24-10-12-25(13-11-24)22(27)20-4-2-14-28-20)18-5-7-19(8-6-18)29-16-17-3-1-9-23-15-17/h1,3,5-9,15,20H,2,4,10-14,16H2
InChIKeyQUKLQTYVKQVSQT-UHFFFAOYSA-N
XLogP2.12
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-1-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one
CID 30854834
[4-(4-ethoxybenzoyl)-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95320672
[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136580768
(2R)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide
CID 51725557
oxolan-2-yl-[4-(4-propoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807125
[3-(3-methylimidazol-4-yl)pyrrolidin-1-yl]-[4-(pyridin-3-ylmethoxy)phenyl]methanone
CID 167791002
[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 119267990
oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
oxolan-2-yl-[4-(6-phenylmethoxypyrimidine-4-carbonyl)piperazin-1-yl]methanone
CID 121168031
[2-(4-chlorophenyl)pyrrolidin-1-yl]-[4-(pyridin-3-ylmethoxy)phenyl]methanone
CID 43060389
N-[[(2R)-1-[4-(pyridin-3-ylmethoxy)benzoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 51942938
N-[[(2S)-1-[4-(pyridin-3-ylmethoxy)benzoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 51942937

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methanone (CID 47024168) is oxolan-2-yl-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methanone is O=C(c1ccc(OCc2cccnc2)cc1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of oxolan-2-yl-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methanone?
The InChIKey is QUKLQTYVKQVSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c26-21(24-10-12-25(13-11-24)22(27)20-4-2-14-28-20)18-5-7-19(8-6-18)29-16-17-3-1-9-23-15-17/h1,3,5-9,15,20H,2,4,10-14,16H2.
What are the key properties of oxolan-2-yl-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methanone?
oxolan-2-yl-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methanone has a molecular weight of 395.46 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methanone is sourced from PubChem (CID 47024168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).