[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C20H24N4O3 — CID 51927276

IUPAC[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1OC[C@H]1CCCO1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H24N4O3/c25-19(23-10-12-24(13-11-23)20-21-8-4-9-22-20)17-6-1-2-7-18(17)27-15-16-5-3-14-26-16/h1-2,4,6-9,16H,3,5,10-15H2/t16-/m1/s1
InChIKeyJUNWDHBAGABIOH-MRXNPFEDSA-N
MW368.44 g/mol
LogP2.00
Rot. Bonds5

About [2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 51927276) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is [2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID51927276
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1OC[C@H]1CCCO1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H24N4O3/c25-19(23-10-12-24(13-11-23)20-21-8-4-9-22-20)17-6-1-2-7-18(17)27-15-16-5-3-14-26-16/h1-2,4,6-9,16H,3,5,10-15H2/t16-/m1/s1
InChIKeyJUNWDHBAGABIOH-MRXNPFEDSA-N
XLogP2.00
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[2-(oxolan-2-ylmethoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 42937228
1,4-diazepan-1-yl-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124610969
[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 39723479
N-(3-methyl-2-pyridinyl)-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]piperidine-4-carboxamide
CID 51960658
[(3S)-3-methylpiperazin-1-yl]-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124591399
2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]-2-phenylacetonitrile
CID 112810509
(3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125148522
(3R)-3-methyl-1-[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125148523
3-methyl-1-[2-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119256061
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
N-butyl-2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 43048299
2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethoxy)phenyl]methanone
CID 18103454

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 51927276) is [2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1ccccc1OC[C@H]1CCCO1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of [2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is JUNWDHBAGABIOH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-19(23-10-12-24(13-11-23)20-21-8-4-9-22-20)17-6-1-2-7-18(17)27-15-16-5-3-14-26-16/h1-2,4,6-9,16H,3,5,10-15H2/t16-/m1/s1.
What are the key properties of [2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 368.44 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 51927276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).