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

C23H24N4O — CID 110255017

IUPAC1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESCc1cccc(-c2nccnc2C2CCCN(C(=O)Cc3cccnc3)C2)c1
InChIInChI=1S/C23H24N4O/c1-17-5-2-7-19(13-17)22-23(26-11-10-25-22)20-8-4-12-27(16-20)21(28)14-18-6-3-9-24-15-18/h2-3,5-7,9-11,13,15,20H,4,8,12,14,16H2,1H3
InChIKeySYSMNBVAJDFMPT-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.80
Rot. Bonds4

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

1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 110255017) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
PubChem CID110255017
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESCc1cccc(-c2nccnc2C2CCCN(C(=O)Cc3cccnc3)C2)c1
InChIInChI=1S/C23H24N4O/c1-17-5-2-7-19(13-17)22-23(26-11-10-25-22)20-8-4-12-27(16-20)21(28)14-18-6-3-9-24-15-18/h2-3,5-7,9-11,13,15,20H,4,8,12,14,16H2,1H3
InChIKeySYSMNBVAJDFMPT-UHFFFAOYSA-N
XLogP3.80
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95819217
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818691
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95819263
1-[(3R)-3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 95810979
2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone
CID 100645265
[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95818946
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
1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 53192172

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone (CID 110255017) is 1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone is Cc1cccc(-c2nccnc2C2CCCN(C(=O)Cc3cccnc3)C2)c1.
What is the InChIKey of 1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is SYSMNBVAJDFMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-17-5-2-7-19(13-17)22-23(26-11-10-25-22)20-8-4-12-27(16-20)21(28)14-18-6-3-9-24-15-18/h2-3,5-7,9-11,13,15,20H,4,8,12,14,16H2,1H3.
What are the key properties of 1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 372.47 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 110255017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).