(6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone

C22H22N4O2 — CID 124990884

IUPAC(6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)n1
InChIInChI=1S/C22H22N4O2/c1-16-7-5-11-19(24-16)22(27)26-12-6-8-17(15-26)20-13-23-14-21(25-20)28-18-9-3-2-4-10-18/h2-5,7,9-11,13-14,17H,6,8,12,15H2,1H3/t17-/m0/s1
InChIKeyPEZYQVYATQCGJY-KRWDZBQOSA-N
MW374.44 g/mol
LogP3.99
Rot. Bonds4

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

(6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone (PubChem CID 124990884) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
PubChem CID124990884
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name(6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)n1
InChIInChI=1S/C22H22N4O2/c1-16-7-5-11-19(24-16)22(27)26-12-6-8-17(15-26)20-13-23-14-21(25-20)28-18-9-3-2-4-10-18/h2-5,7,9-11,13-14,17H,6,8,12,15H2,1H3/t17-/m0/s1
InChIKeyPEZYQVYATQCGJY-KRWDZBQOSA-N
XLogP3.99
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 95823181
[(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
(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 110150050
(4-methyl-1,3-oxazol-5-yl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124989570
(2-methyl-3-morpholin-4-ylphenyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 129457217
[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 110256743
[(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
oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 95823108
[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 110148953
[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 124988968

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone (CID 124990884) is (6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone is Cc1cccc(C(=O)N2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)n1.
What is the InChIKey of (6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
The InChIKey is PEZYQVYATQCGJY-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16-7-5-11-19(24-16)22(27)26-12-6-8-17(15-26)20-13-23-14-21(25-20)28-18-9-3-2-4-10-18/h2-5,7,9-11,13-14,17H,6,8,12,15H2,1H3/t17-/m0/s1.
What are the key properties of (6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
(6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone has a molecular weight of 374.44 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124990884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).