[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C15H23N5O — CID 120632592

IUPAC[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCN(c3cnccn3)CC2)CCN1
InChIInChI=1S/C15H23N5O/c1-12-10-13(2-3-17-12)15(21)20-8-6-19(7-9-20)14-11-16-4-5-18-14/h4-5,11-13,17H,2-3,6-10H2,1H3/t12-,13-/m0/s1
InChIKeyHCSOTKFGKFCWTM-STQMWFEESA-N
MW289.38 g/mol
LogP0.51
Rot. Bonds2

About [(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 120632592) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is [(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID120632592
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCN(c3cnccn3)CC2)CCN1
InChIInChI=1S/C15H23N5O/c1-12-10-13(2-3-17-12)15(21)20-8-6-19(7-9-20)14-11-16-4-5-18-14/h4-5,11-13,17H,2-3,6-10H2,1H3/t12-,13-/m0/s1
InChIKeyHCSOTKFGKFCWTM-STQMWFEESA-N
XLogP0.51
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 120632592) is [(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is C[C@H]1C[C@@H](C(=O)N2CCN(c3cnccn3)CC2)CCN1.
What is the InChIKey of [(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is HCSOTKFGKFCWTM-STQMWFEESA-N. The full InChI is InChI=1S/C15H23N5O/c1-12-10-13(2-3-17-12)15(21)20-8-6-19(7-9-20)14-11-16-4-5-18-14/h4-5,11-13,17H,2-3,6-10H2,1H3/t12-,13-/m0/s1.
What are the key properties of [(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120632592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).