(2-methyl-3-morpholin-4-ylphenyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone

C27H30N4O3 — CID 129457217

IUPAC(2-methyl-3-morpholin-4-ylphenyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)cccc1N1CCOCC1
InChIInChI=1S/C27H30N4O3/c1-20-23(10-5-11-25(20)30-13-15-33-16-14-30)27(32)31-12-6-7-21(19-31)24-17-28-18-26(29-24)34-22-8-3-2-4-9-22/h2-5,8-11,17-18,21H,6-7,12-16,19H2,1H3/t21-/m0/s1
InChIKeyOOQARHRMZQNROB-NRFANRHFSA-N
MW458.56 g/mol
LogP4.43
Rot. Bonds5

About (2-methyl-3-morpholin-4-ylphenyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone

(2-methyl-3-morpholin-4-ylphenyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone (PubChem CID 129457217) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is (2-methyl-3-morpholin-4-ylphenyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-3-morpholin-4-ylphenyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
PubChem CID129457217
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name(2-methyl-3-morpholin-4-ylphenyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)cccc1N1CCOCC1
InChIInChI=1S/C27H30N4O3/c1-20-23(10-5-11-25(20)30-13-15-33-16-14-30)27(32)31-12-6-7-21(19-31)24-17-28-18-26(29-24)34-22-8-3-2-4-9-22/h2-5,8-11,17-18,21H,6-7,12-16,19H2,1H3/t21-/m0/s1
InChIKeyOOQARHRMZQNROB-NRFANRHFSA-N
XLogP4.43
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-methyl-3-morpholin-4-ylphenyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 95823108
(6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124990884
(4-methyl-1,3-oxazol-5-yl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124989570
[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
CID 110150697
3-morpholin-4-yl-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
CID 110256583
[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 129455476
(2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 95823181
(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 110150050
[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridazin-3-ylmethanone
CID 124978644
2-methyl-6-[3-(6-phenoxypyrazin-2-yl)piperidine-1-carbonyl]pyridazin-3-one
CID 110256592
[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822300
[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822301

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-morpholin-4-ylphenyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-3-morpholin-4-ylphenyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone (CID 129457217) is (2-methyl-3-morpholin-4-ylphenyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-3-morpholin-4-ylphenyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-3-morpholin-4-ylphenyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone is Cc1c(C(=O)N2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)cccc1N1CCOCC1.
What is the InChIKey of (2-methyl-3-morpholin-4-ylphenyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
The InChIKey is OOQARHRMZQNROB-NRFANRHFSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-20-23(10-5-11-25(20)30-13-15-33-16-14-30)27(32)31-12-6-7-21(19-31)24-17-28-18-26(29-24)34-22-8-3-2-4-9-22/h2-5,8-11,17-18,21H,6-7,12-16,19H2,1H3/t21-/m0/s1.
What are the key properties of (2-methyl-3-morpholin-4-ylphenyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
(2-methyl-3-morpholin-4-ylphenyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone has a molecular weight of 458.56 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-morpholin-4-ylphenyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 129457217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).