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

C24H25N3O — CID 110254922

IUPAC1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone
SMILESCc1cccc(-c2nccnc2C2CCCN(C(=O)Cc3ccccc3)C2)c1
InChIInChI=1S/C24H25N3O/c1-18-7-5-10-20(15-18)23-24(26-13-12-25-23)21-11-6-14-27(17-21)22(28)16-19-8-3-2-4-9-19/h2-5,7-10,12-13,15,21H,6,11,14,16-17H2,1H3
InChIKeyPLKLQMSICLMUGZ-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.40
Rot. Bonds4

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

1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone (PubChem CID 110254922) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone
PubChem CID110254922
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone
SMILESCc1cccc(-c2nccnc2C2CCCN(C(=O)Cc3ccccc3)C2)c1
InChIInChI=1S/C24H25N3O/c1-18-7-5-10-20(15-18)23-24(26-13-12-25-23)21-11-6-14-27(17-21)22(28)16-19-8-3-2-4-9-19/h2-5,7-10,12-13,15,21H,6,11,14,16-17H2,1H3
InChIKeyPLKLQMSICLMUGZ-UHFFFAOYSA-N
XLogP4.40
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.40
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-pyridin-3-ylethanone
CID 110255017
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818691
1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95819217
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
3-[3-[(3R)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819100
3-[3-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110255040
1-[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95819071
N-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95819324
1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 110089878
N-[3-[3-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 110254948
1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95809803

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone (CID 110254922) is 1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone is Cc1cccc(-c2nccnc2C2CCCN(C(=O)Cc3ccccc3)C2)c1.
What is the InChIKey of 1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone?
The InChIKey is PLKLQMSICLMUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-18-7-5-10-20(15-18)23-24(26-13-12-25-23)21-11-6-14-27(17-21)22(28)16-19-8-3-2-4-9-19/h2-5,7-10,12-13,15,21H,6,11,14,16-17H2,1H3.
What are the key properties of 1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone?
1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone has a molecular weight of 371.48 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 110254922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).