1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone

C20H28N6O — CID 52515429

IUPAC1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3ccc4nccnc4n3)CC2)C1
InChIInChI=1S/C20H28N6O/c1-15-11-16(2)13-26(12-15)19(27)14-24-7-9-25(10-8-24)18-4-3-17-20(23-18)22-6-5-21-17/h3-6,15-16H,7-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyDOXJAUUKWZMLRS-HZPDHXFCSA-N
MW368.49 g/mol
LogP1.65
Rot. Bonds3

About 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone

1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone (PubChem CID 52515429) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone
PubChem CID52515429
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3ccc4nccnc4n3)CC2)C1
InChIInChI=1S/C20H28N6O/c1-15-11-16(2)13-26(12-15)19(27)14-24-7-9-25(10-8-24)18-4-3-17-20(23-18)22-6-5-21-17/h3-6,15-16H,7-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyDOXJAUUKWZMLRS-HZPDHXFCSA-N
XLogP1.65
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone (CID 52515429) is 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone is C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3ccc4nccnc4n3)CC2)C1.
What is the InChIKey of 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone?
The InChIKey is DOXJAUUKWZMLRS-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H28N6O/c1-15-11-16(2)13-26(12-15)19(27)14-24-7-9-25(10-8-24)18-4-3-17-20(23-18)22-6-5-21-17/h3-6,15-16H,7-14H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone?
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone has a molecular weight of 368.49 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 52515429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).