[4-(2-fluorophenyl)piperazin-1-yl]-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]methanone

C20H22FN3O3 — CID 100729895

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]methanone
SMILESO=C(c1ccc(O[C@@H]2CCOC2)nc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H22FN3O3/c21-17-3-1-2-4-18(17)23-8-10-24(11-9-23)20(25)15-5-6-19(22-13-15)27-16-7-12-26-14-16/h1-6,13,16H,7-12,14H2/t16-/m1/s1
InChIKeyLWSYSQFTUUJCFN-MRXNPFEDSA-N
MW371.41 g/mol
LogP2.35
Rot. Bonds4

About [4-(2-fluorophenyl)piperazin-1-yl]-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]methanone (PubChem CID 100729895) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]methanone
PubChem CID100729895
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]methanone
SMILESO=C(c1ccc(O[C@@H]2CCOC2)nc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H22FN3O3/c21-17-3-1-2-4-18(17)23-8-10-24(11-9-23)20(25)15-5-6-19(22-13-15)27-16-7-12-26-14-16/h1-6,13,16H,7-12,14H2/t16-/m1/s1
InChIKeyLWSYSQFTUUJCFN-MRXNPFEDSA-N
XLogP2.35
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2-fluorophenyl)piperazin-1-yl]-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]methanone with MolForge

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Related Compounds

[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 100730810
[6-(oxolan-3-yloxy)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91815187
[6-(oxolan-3-yloxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride
CID 68927330
ethyl 4-[6-[(3R)-oxolan-3-yl]oxypyridine-3-carbonyl]piperazine-1-carboxylate
CID 124892311
[6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109160477
[4-(2-fluorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84571000
6-(oxolan-3-yloxy)-N-phenylpyridine-3-carboxamide
CID 91815160
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(N-methylanilino)pyrimidin-5-yl]methanone
CID 109262099
[4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 110756069
[4-(cyclopropylamino)-3-nitrophenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 26590612
4-(2-fluorophenyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]piperazine-1-carboxamide
CID 136513665

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]methanone (CID 100729895) is [4-(2-fluorophenyl)piperazin-1-yl]-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]methanone is O=C(c1ccc(O[C@@H]2CCOC2)nc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]methanone?
The InChIKey is LWSYSQFTUUJCFN-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22FN3O3/c21-17-3-1-2-4-18(17)23-8-10-24(11-9-23)20(25)15-5-6-19(22-13-15)27-16-7-12-26-14-16/h1-6,13,16H,7-12,14H2/t16-/m1/s1.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]methanone has a molecular weight of 371.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]methanone is sourced from PubChem (CID 100729895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).