(4-methylpiperidin-1-yl)-[7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone

C17H28N4O — CID 71838382

IUPAC(4-methylpiperidin-1-yl)-[7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone
SMILESCC(C)CN1CCn2cc(C(=O)N3CCC(C)CC3)nc2C1
InChIInChI=1S/C17H28N4O/c1-13(2)10-19-8-9-21-11-15(18-16(21)12-19)17(22)20-6-4-14(3)5-7-20/h11,13-14H,4-10,12H2,1-3H3
InChIKeyJBDFGSZFMXDRMC-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.23
Rot. Bonds3

About (4-methylpiperidin-1-yl)-[7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone

(4-methylpiperidin-1-yl)-[7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone (PubChem CID 71838382) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone
PubChem CID71838382
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name(4-methylpiperidin-1-yl)-[7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone
SMILESCC(C)CN1CCn2cc(C(=O)N3CCC(C)CC3)nc2C1
InChIInChI=1S/C17H28N4O/c1-13(2)10-19-8-9-21-11-15(18-16(21)12-19)17(22)20-6-4-14(3)5-7-20/h11,13-14H,4-10,12H2,1-3H3
InChIKeyJBDFGSZFMXDRMC-UHFFFAOYSA-N
XLogP2.23
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methylpiperidin-1-yl)-[7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone with MolForge

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Related Compounds

1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
CID 3794582
1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide
CID 4860011
1,3-dimethyl-7-(3-methylbutyl)-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
CID 4999777
1,3-Dimethyl-7-piperidin-1-ylmethyl-3,7-dihydro-purine-2,6-dione
CID 279628
1,3-dimethyl-7-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione
CID 3126542
7-hexyl-1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
CID 3241736
7-Hexyl-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]purine-2,6-dione
CID 3242401
1,3-Dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-7-(2-methylpropyl)purine-2,6-dione
CID 4190625
8-[(2-Ethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
CID 5310172
US11142526, Example 23
CID 135384266
US11142526, Example 186
CID 137530763
US11142526, Example 22
CID 137532937

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone (CID 71838382) is (4-methylpiperidin-1-yl)-[7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone is CC(C)CN1CCn2cc(C(=O)N3CCC(C)CC3)nc2C1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone?
The InChIKey is JBDFGSZFMXDRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-13(2)10-19-8-9-21-11-15(18-16(21)12-19)17(22)20-6-4-14(3)5-7-20/h11,13-14H,4-10,12H2,1-3H3.
What are the key properties of (4-methylpiperidin-1-yl)-[7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone?
(4-methylpiperidin-1-yl)-[7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone has a molecular weight of 304.44 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone is sourced from PubChem (CID 71838382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).