[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone

C27H28FN3O3 — CID 129454072

IUPAC[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
SMILESO=C(N1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C27H28FN3O3/c28-22-8-10-23(11-9-22)34-25-24(29-14-15-30-25)20-5-4-16-31(19-20)26(32)27(12-17-33-18-13-27)21-6-2-1-3-7-21/h1-3,6-11,14-15,20H,4-5,12-13,16-19H2/t20-/m0/s1
InChIKeyCSETYBDHOOVGOO-FQEVSTJZSA-N
MW461.54 g/mol
LogP4.86
Rot. Bonds5

About [(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone

[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone (PubChem CID 129454072) has the molecular formula C27H28FN3O3 and a molecular weight of 461.54 g/mol. Its IUPAC name is [(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
PubChem CID129454072
Molecular FormulaC27H28FN3O3
Molecular Weight461.54 g/mol
Exact Mass461.21
IUPAC Name[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
SMILESO=C(N1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C27H28FN3O3/c28-22-8-10-23(11-9-22)34-25-24(29-14-15-30-25)20-5-4-16-31(19-20)26(32)27(12-17-33-18-13-27)21-6-2-1-3-7-21/h1-3,6-11,14-15,20H,4-5,12-13,16-19H2/t20-/m0/s1
InChIKeyCSETYBDHOOVGOO-FQEVSTJZSA-N
XLogP4.86
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-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-methoxyphenyl)oxan-4-yl]-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 129459227
(4-benzyloxan-4-yl)-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 129455687
[(3R)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone
CID 129453578
1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821906
[(3R)-3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 95823091
1-(4-phenyloxane-4-carbonyl)piperidine-3-carboxylic acid
CID 119128018
[(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 95823111
[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 100757035
3-[(3R)-1-(4-phenyloxane-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755061
(2-morpholin-4-yl-4-pyridinyl)-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 110151084
2-(4-fluorophenoxy)-3-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 110256284
2-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N-methylacetamide
CID 125006836

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone?
The IUPAC name of [(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone (CID 129454072) is [(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone.
What is the SMILES notation for [(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone?
The canonical SMILES for [(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone is O=C(N1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of [(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone?
The InChIKey is CSETYBDHOOVGOO-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H28FN3O3/c28-22-8-10-23(11-9-22)34-25-24(29-14-15-30-25)20-5-4-16-31(19-20)26(32)27(12-17-33-18-13-27)21-6-2-1-3-7-21/h1-3,6-11,14-15,20H,4-5,12-13,16-19H2/t20-/m0/s1.
What are the key properties of [(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone?
[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone has a molecular weight of 461.54 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone is sourced from PubChem (CID 129454072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).