7-(4-piperidin-4-ylcyclohex-3-en-1-yl)-2,3-dihydropyrido[3,4-b]pyrazine

C18H24N4 — CID 123939603

IUPAC7-(4-piperidin-4-ylcyclohex-3-en-1-yl)-2,3-dihydropyrido[3,4-b]pyrazine
SMILESC1=C(C2CCNCC2)CCC(c2cc3c(cn2)=NCCN=3)C1
InChIInChI=1S/C18H24N4/c1-3-15(4-2-13(1)14-5-7-19-8-6-14)16-11-17-18(12-22-16)21-10-9-20-17/h1,11-12,14-15,19H,2-10H2
InChIKeyVGKXFQAHPILJLC-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.53
Rot. Bonds2

About 7-(4-piperidin-4-ylcyclohex-3-en-1-yl)-2,3-dihydropyrido[3,4-b]pyrazine

7-(4-piperidin-4-ylcyclohex-3-en-1-yl)-2,3-dihydropyrido[3,4-b]pyrazine (PubChem CID 123939603) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 7-(4-piperidin-4-ylcyclohex-3-en-1-yl)-2,3-dihydropyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name7-(4-piperidin-4-ylcyclohex-3-en-1-yl)-2,3-dihydropyrido[3,4-b]pyrazine
PubChem CID123939603
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name7-(4-piperidin-4-ylcyclohex-3-en-1-yl)-2,3-dihydropyrido[3,4-b]pyrazine
SMILESC1=C(C2CCNCC2)CCC(c2cc3c(cn2)=NCCN=3)C1
InChIInChI=1S/C18H24N4/c1-3-15(4-2-13(1)14-5-7-19-8-6-14)16-11-17-18(12-22-16)21-10-9-20-17/h1,11-12,14-15,19H,2-10H2
InChIKeyVGKXFQAHPILJLC-UHFFFAOYSA-N
XLogP1.53
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 68636564
2,3,4,4a,5,5a,8,8a-octahydro-1H-pyrrolo[3,4-g]quinoline
CID 20554697
4a,6,7,8,9,9a,10,10a-Octahydropyrido[2,3-g]quinoline
CID 67926157
4-cyclohexa-2,4-dien-1-yl-N-(3-cyclohexa-1,5-dien-1-ylpropyl)-2,5,6,7-tetrahydro-1H-quinolin-8-imine
CID 70955557
1,2,3,4,4a,5,6,6a-Octahydrobenzo[b][1,10]phenanthroline
CID 140807047
6,7-Dimethyl-5,8,15-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9-pentaene
CID 142166402
8-ethyl-3-piperidin-4-yl-6,7,8,9-tetrahydro-5H-1-benzazepine
CID 155373414
3-(Cyclohexen-1-yl)-2-piperidin-4-yl-3,4-dihydropyridine
CID 163963293

Frequently Asked Questions

What is the IUPAC name of 7-(4-piperidin-4-ylcyclohex-3-en-1-yl)-2,3-dihydropyrido[3,4-b]pyrazine?
The IUPAC name of 7-(4-piperidin-4-ylcyclohex-3-en-1-yl)-2,3-dihydropyrido[3,4-b]pyrazine (CID 123939603) is 7-(4-piperidin-4-ylcyclohex-3-en-1-yl)-2,3-dihydropyrido[3,4-b]pyrazine.
What is the SMILES notation for 7-(4-piperidin-4-ylcyclohex-3-en-1-yl)-2,3-dihydropyrido[3,4-b]pyrazine?
The canonical SMILES for 7-(4-piperidin-4-ylcyclohex-3-en-1-yl)-2,3-dihydropyrido[3,4-b]pyrazine is C1=C(C2CCNCC2)CCC(c2cc3c(cn2)=NCCN=3)C1.
What is the InChIKey of 7-(4-piperidin-4-ylcyclohex-3-en-1-yl)-2,3-dihydropyrido[3,4-b]pyrazine?
The InChIKey is VGKXFQAHPILJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-3-15(4-2-13(1)14-5-7-19-8-6-14)16-11-17-18(12-22-16)21-10-9-20-17/h1,11-12,14-15,19H,2-10H2.
What are the key properties of 7-(4-piperidin-4-ylcyclohex-3-en-1-yl)-2,3-dihydropyrido[3,4-b]pyrazine?
7-(4-piperidin-4-ylcyclohex-3-en-1-yl)-2,3-dihydropyrido[3,4-b]pyrazine has a molecular weight of 296.42 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-piperidin-4-ylcyclohex-3-en-1-yl)-2,3-dihydropyrido[3,4-b]pyrazine is sourced from PubChem (CID 123939603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).