[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone

C22H22N4O2 — CID 95809539

IUPAC[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCOc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4cnccn4)C3)n2)c1
InChIInChI=1S/C22H22N4O2/c1-28-18-7-2-5-16(13-18)19-8-3-9-20(25-19)17-6-4-12-26(15-17)22(27)21-14-23-10-11-24-21/h2-3,5,7-11,13-14,17H,4,6,12,15H2,1H3/t17-/m0/s1
InChIKeyRRVDRBKUHACZCN-KRWDZBQOSA-N
MW374.44 g/mol
LogP3.57
Rot. Bonds4

About [(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone

[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 95809539) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is [(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID95809539
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCOc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4cnccn4)C3)n2)c1
InChIInChI=1S/C22H22N4O2/c1-28-18-7-2-5-16(13-18)19-8-3-9-20(25-19)17-6-4-12-26(15-17)22(27)21-14-23-10-11-24-21/h2-3,5,7-11,13-14,17H,4,6,12,15H2,1H3/t17-/m0/s1
InChIKeyRRVDRBKUHACZCN-KRWDZBQOSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809563
cyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95809673
[(3R)-3-[6-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95819758
[3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 110249997
1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95810071
[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95824147
[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95820010
1-[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95809371
2-(3-methoxyphenyl)-6-(1-methylpiperidin-3-yl)pyridine
CID 110249259
2-hydroxy-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819992
1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95819824
[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 124950186

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 95809539) is [(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone is COc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4cnccn4)C3)n2)c1.
What is the InChIKey of [(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is RRVDRBKUHACZCN-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-28-18-7-2-5-16(13-18)19-8-3-9-20(25-19)17-6-4-12-26(15-17)22(27)21-14-23-10-11-24-21/h2-3,5,7-11,13-14,17H,4,6,12,15H2,1H3/t17-/m0/s1.
What are the key properties of [(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 374.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 95809539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).