[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone

C23H23N3O — CID 95818691

IUPAC[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
SMILESCc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1
InChIInChI=1S/C23H23N3O/c1-17-7-5-10-19(15-17)21-22(25-13-12-24-21)20-11-6-14-26(16-20)23(27)18-8-3-2-4-9-18/h2-5,7-10,12-13,15,20H,6,11,14,16H2,1H3/t20-/m1/s1
InChIKeyRZNNTOAJWDPQPI-HXUWFJFHSA-N
MW357.46 g/mol
LogP4.47
Rot. Bonds3

About [(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone

[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 95818691) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is [(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
PubChem CID95818691
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
SMILESCc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1
InChIInChI=1S/C23H23N3O/c1-17-7-5-10-19(15-17)21-22(25-13-12-24-21)20-11-6-14-26(16-20)23(27)18-8-3-2-4-9-18/h2-5,7-10,12-13,15,20H,6,11,14,16H2,1H3/t20-/m1/s1
InChIKeyRZNNTOAJWDPQPI-HXUWFJFHSA-N
XLogP4.47
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone
CID 110254922
cyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819177
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95819263
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945
3-[3-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818967
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818693
[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818963
1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95819217
[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95818946
1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 110255017
[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818955
[(3S)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95819269

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone (CID 95818691) is [(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone is Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1.
What is the InChIKey of [(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is RZNNTOAJWDPQPI-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23N3O/c1-17-7-5-10-19(15-17)21-22(25-13-12-24-21)20-11-6-14-26(16-20)23(27)18-8-3-2-4-9-18/h2-5,7-10,12-13,15,20H,6,11,14,16H2,1H3/t20-/m1/s1.
What are the key properties of [(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 357.46 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 95818691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).