[1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone

C18H20N4O2 — CID 51089756

IUPAC[1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3nccnc3N)CC2)cc1
InChIInChI=1S/C18H20N4O2/c1-12-2-4-13(5-3-12)16(23)14-6-10-22(11-7-14)18(24)15-17(19)21-9-8-20-15/h2-5,8-9,14H,6-7,10-11H2,1H3,(H2,19,21)
InChIKeyXKBULGJKGBLPPQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.10
Rot. Bonds3

About [1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone

[1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone (PubChem CID 51089756) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is [1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone
PubChem CID51089756
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name[1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3nccnc3N)CC2)cc1
InChIInChI=1S/C18H20N4O2/c1-12-2-4-13(5-3-12)16(23)14-6-10-22(11-7-14)18(24)15-17(19)21-9-8-20-15/h2-5,8-9,14H,6-7,10-11H2,1H3,(H2,19,21)
InChIKeyXKBULGJKGBLPPQ-UHFFFAOYSA-N
XLogP2.10
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone 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-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
(4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
CID 141265347
[4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 32518605
2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 122106252
(4-methylphenyl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone
CID 86824640
1-(3-aminopyrazine-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38645394
(4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone
CID 55956327
(4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 55956853
[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone
CID 17445120
(4-methylphenyl)-[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidin-4-yl]methanone
CID 55957097
(3-aminopyrazin-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 38480245
[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 55955315

Frequently Asked Questions

What is the IUPAC name of [1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone (CID 51089756) is [1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2CCN(C(=O)c3nccnc3N)CC2)cc1.
What is the InChIKey of [1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone?
The InChIKey is XKBULGJKGBLPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-2-4-13(5-3-12)16(23)14-6-10-22(11-7-14)18(24)15-17(19)21-9-8-20-15/h2-5,8-9,14H,6-7,10-11H2,1H3,(H2,19,21).
What are the key properties of [1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone?
[1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone has a molecular weight of 324.38 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 51089756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).