[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C14H21N5O2 — CID 120798416

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESNC[C@H]1CC[C@@H](C(=O)N2CCN(c3cnccn3)CC2)O1
InChIInChI=1S/C14H21N5O2/c15-9-11-1-2-12(21-11)14(20)19-7-5-18(6-8-19)13-10-16-3-4-17-13/h3-4,10-12H,1-2,5-9,15H2/t11-,12+/m1/s1
InChIKeyBXKSIHLCOUWIDR-NEPJUHHUSA-N
MW291.35 g/mol
LogP-0.37
Rot. Bonds3

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 120798416) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID120798416
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESNC[C@H]1CC[C@@H](C(=O)N2CCN(c3cnccn3)CC2)O1
InChIInChI=1S/C14H21N5O2/c15-9-11-1-2-12(21-11)14(20)19-7-5-18(6-8-19)13-10-16-3-4-17-13/h3-4,10-12H,1-2,5-9,15H2/t11-,12+/m1/s1
InChIKeyBXKSIHLCOUWIDR-NEPJUHHUSA-N
XLogP-0.37
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120799693
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 120801116
(3-aminocyclopentyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 66009185
[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone
CID 120790356
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-hydroxybenzoyl)piperazin-1-yl]methanone
CID 120788098
2-(aminomethyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 65227346
[5-(aminomethyl)oxolan-2-yl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220593
1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-cyclohexylethanone
CID 120791454
[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 155510142
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
CID 120788310
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 94014553

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 120798416) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is NC[C@H]1CC[C@@H](C(=O)N2CCN(c3cnccn3)CC2)O1.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is BXKSIHLCOUWIDR-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H21N5O2/c15-9-11-1-2-12(21-11)14(20)19-7-5-18(6-8-19)13-10-16-3-4-17-13/h3-4,10-12H,1-2,5-9,15H2/t11-,12+/m1/s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 291.35 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120798416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).