(4-benzyloxan-4-yl)-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone

C28H31N3O3 — CID 129455687

IUPAC(4-benzyloxan-4-yl)-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCC[C@@H](c2nccnc2Oc2ccccc2)C1)C1(Cc2ccccc2)CCOCC1
InChIInChI=1S/C28H31N3O3/c32-27(28(13-18-33-19-14-28)20-22-8-3-1-4-9-22)31-17-7-10-23(21-31)25-26(30-16-15-29-25)34-24-11-5-2-6-12-24/h1-6,8-9,11-12,15-16,23H,7,10,13-14,17-21H2/t23-/m1/s1
InChIKeyJEVJHSZTQDNGDX-HSZRJFAPSA-N
MW457.57 g/mol
LogP5.01
Rot. Bonds6

About (4-benzyloxan-4-yl)-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone

(4-benzyloxan-4-yl)-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone (PubChem CID 129455687) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is (4-benzyloxan-4-yl)-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-benzyloxan-4-yl)-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
PubChem CID129455687
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name(4-benzyloxan-4-yl)-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCC[C@@H](c2nccnc2Oc2ccccc2)C1)C1(Cc2ccccc2)CCOCC1
InChIInChI=1S/C28H31N3O3/c32-27(28(13-18-33-19-14-28)20-22-8-3-1-4-9-22)31-17-7-10-23(21-31)25-26(30-16-15-29-25)34-24-11-5-2-6-12-24/h1-6,8-9,11-12,15-16,23H,7,10,13-14,17-21H2/t23-/m1/s1
InChIKeyJEVJHSZTQDNGDX-HSZRJFAPSA-N
XLogP5.01
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-benzyloxan-4-yl)-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-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
[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 129454072
(2-morpholin-4-yl-4-pyridinyl)-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 110151084
[(3R)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone
CID 129453578
(4-benzyloxan-4-yl)-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110150108
1-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 95823286
[(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 95823111
(4-benzyloxan-4-yl)-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 124950943
1-[3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile
CID 175657135
(4-benzyloxan-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110148797
2-amino-1-[(3R)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823413
1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821906

Frequently Asked Questions

What is the IUPAC name of (4-benzyloxan-4-yl)-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-benzyloxan-4-yl)-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone (CID 129455687) is (4-benzyloxan-4-yl)-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-benzyloxan-4-yl)-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-benzyloxan-4-yl)-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone is O=C(N1CCC[C@@H](c2nccnc2Oc2ccccc2)C1)C1(Cc2ccccc2)CCOCC1.
What is the InChIKey of (4-benzyloxan-4-yl)-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
The InChIKey is JEVJHSZTQDNGDX-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H31N3O3/c32-27(28(13-18-33-19-14-28)20-22-8-3-1-4-9-22)31-17-7-10-23(21-31)25-26(30-16-15-29-25)34-24-11-5-2-6-12-24/h1-6,8-9,11-12,15-16,23H,7,10,13-14,17-21H2/t23-/m1/s1.
What are the key properties of (4-benzyloxan-4-yl)-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
(4-benzyloxan-4-yl)-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone has a molecular weight of 457.57 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyloxan-4-yl)-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 129455687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).