[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C15H23N5O2 — CID 155510142

IUPAC[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESN[C@@H]1C[C@@H](C(=O)N2CCN(c3cnccn3)CC2)CC[C@H]1O
InChIInChI=1S/C15H23N5O2/c16-12-9-11(1-2-13(12)21)15(22)20-7-5-19(6-8-20)14-10-17-3-4-18-14/h3-4,10-13,21H,1-2,5-9,16H2/t11-,12+,13+/m0/s1
InChIKeyVWOXHUVRMGZSLR-YNEHKIRRSA-N
MW305.38 g/mol
LogP-0.39
Rot. Bonds2

About [(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 155510142) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is [(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID155510142
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESN[C@@H]1C[C@@H](C(=O)N2CCN(c3cnccn3)CC2)CC[C@H]1O
InChIInChI=1S/C15H23N5O2/c16-12-9-11(1-2-13(12)21)15(22)20-7-5-19(6-8-20)14-10-17-3-4-18-14/h3-4,10-13,21H,1-2,5-9,16H2/t11-,12+,13+/m0/s1
InChIKeyVWOXHUVRMGZSLR-YNEHKIRRSA-N
XLogP-0.39
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-aminocyclopentyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 66009185
[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 120632592
1-(cyclopropanecarbonyl)-4-pyrazin-2-yl-1,4-diazepane-6-carboxylic acid
CID 74244449
[(3R,6S)-6-amino-1-(oxan-4-yl)azepan-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 165417585
[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone;dihydrochloride
CID 155939898
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
[4-(adamantane-1-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone
CID 78852026
ethyl (3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 32647962
morpholin-4-yl-(1-pyrazin-2-ylazetidin-3-yl)methanone
CID 163352710
(4-methylpyrrolidin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 63713980
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 120798416
[1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18133999

Frequently Asked Questions

What is the IUPAC name of [(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 155510142) is [(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is N[C@@H]1C[C@@H](C(=O)N2CCN(c3cnccn3)CC2)CC[C@H]1O.
What is the InChIKey of [(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is VWOXHUVRMGZSLR-YNEHKIRRSA-N. The full InChI is InChI=1S/C15H23N5O2/c16-12-9-11(1-2-13(12)21)15(22)20-7-5-19(6-8-20)14-10-17-3-4-18-14/h3-4,10-13,21H,1-2,5-9,16H2/t11-,12+,13+/m0/s1.
What are the key properties of [(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 305.38 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 155510142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).