[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone

C22H22N4O2 — CID 95818963

IUPAC[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCOc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)c3ccncc3)C2)c1
InChIInChI=1S/C22H22N4O2/c1-28-19-6-2-4-17(14-19)20-21(25-12-11-24-20)18-5-3-13-26(15-18)22(27)16-7-9-23-10-8-16/h2,4,6-12,14,18H,3,5,13,15H2,1H3/t18-/m1/s1
InChIKeyYWBZTENSWBFPPM-GOSISDBHSA-N
MW374.44 g/mol
LogP3.57
Rot. Bonds4

About [(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone

[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 95818963) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is [(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID95818963
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCOc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)c3ccncc3)C2)c1
InChIInChI=1S/C22H22N4O2/c1-28-19-6-2-4-17(14-19)20-21(25-12-11-24-20)18-5-3-13-26(15-18)22(27)16-7-9-23-10-8-16/h2,4,6-12,14,18H,3,5,13,15H2,1H3/t18-/m1/s1
InChIKeyYWBZTENSWBFPPM-GOSISDBHSA-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

cyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819187
[(3S)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95819273
3-[3-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818967
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818691
1-[4-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]piperidin-1-yl]ethanone
CID 95819344
[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818955
[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95818946
[(3R)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95809516
[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818958
[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809539
1-[3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110255007
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818693

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 95818963) is [(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone is COc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)c3ccncc3)C2)c1.
What is the InChIKey of [(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is YWBZTENSWBFPPM-GOSISDBHSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-28-19-6-2-4-17(14-19)20-21(25-12-11-24-20)18-5-3-13-26(15-18)22(27)16-7-9-23-10-8-16/h2,4,6-12,14,18H,3,5,13,15H2,1H3/t18-/m1/s1.
What are the key properties of [(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-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 [(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 95818963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).