(4-benzyloxan-4-yl)-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone

C29H33N3O3 — CID 124950943

IUPAC(4-benzyloxan-4-yl)-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCc1ccccc1Oc1cncc([C@@H]2CCCN(C(=O)C3(Cc4ccccc4)CCOCC3)C2)n1
InChIInChI=1S/C29H33N3O3/c1-22-8-5-6-12-26(22)35-27-20-30-19-25(31-27)24-11-7-15-32(21-24)28(33)29(13-16-34-17-14-29)18-23-9-3-2-4-10-23/h2-6,8-10,12,19-20,24H,7,11,13-18,21H2,1H3/t24-/m1/s1
InChIKeyDEVQIYUIFTVPGB-XMMPIXPASA-N
MW471.60 g/mol
LogP5.32
Rot. Bonds6

About (4-benzyloxan-4-yl)-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone

(4-benzyloxan-4-yl)-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 124950943) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is (4-benzyloxan-4-yl)-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-benzyloxan-4-yl)-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
PubChem CID124950943
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Name(4-benzyloxan-4-yl)-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCc1ccccc1Oc1cncc([C@@H]2CCCN(C(=O)C3(Cc4ccccc4)CCOCC3)C2)n1
InChIInChI=1S/C29H33N3O3/c1-22-8-5-6-12-26(22)35-27-20-30-19-25(31-27)24-11-7-15-32(21-24)28(33)29(13-16-34-17-14-29)18-23-9-3-2-4-10-23/h2-6,8-10,12,19-20,24H,7,11,13-18,21H2,1H3/t24-/m1/s1
InChIKeyDEVQIYUIFTVPGB-XMMPIXPASA-N
XLogP5.32
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-benzyloxan-4-yl)-[(3R)-3-[6-(2-methylphenoxy)pyrazin-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-benzyloxan-4-yl)-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110150108
2-methoxy-1-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822520
2-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822521
(4-benzyl-1-methylpiperidin-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124992892
[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 95822780
[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 110256498
3-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 124940932
(4-benzyloxan-4-yl)-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 129455687
oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 95823108
2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823409
[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone
CID 132767401
(4-benzyloxan-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110148797

Frequently Asked Questions

What is the IUPAC name of (4-benzyloxan-4-yl)-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-benzyloxan-4-yl)-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (CID 124950943) is (4-benzyloxan-4-yl)-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-benzyloxan-4-yl)-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-benzyloxan-4-yl)-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is Cc1ccccc1Oc1cncc([C@@H]2CCCN(C(=O)C3(Cc4ccccc4)CCOCC3)C2)n1.
What is the InChIKey of (4-benzyloxan-4-yl)-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
The InChIKey is DEVQIYUIFTVPGB-XMMPIXPASA-N. The full InChI is InChI=1S/C29H33N3O3/c1-22-8-5-6-12-26(22)35-27-20-30-19-25(31-27)24-11-7-15-32(21-24)28(33)29(13-16-34-17-14-29)18-23-9-3-2-4-10-23/h2-6,8-10,12,19-20,24H,7,11,13-18,21H2,1H3/t24-/m1/s1.
What are the key properties of (4-benzyloxan-4-yl)-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
(4-benzyloxan-4-yl)-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 471.60 g/mol, XLogP of 5.32, 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-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 124950943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).