[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4-hydroxycyclohexyl)methanone

C17H26N4O2 — CID 77081669

IUPAC[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4-hydroxycyclohexyl)methanone
SMILESCc1cnc(C)c(N2CCN(C(=O)C3CCC(O)CC3)CC2)n1
InChIInChI=1S/C17H26N4O2/c1-12-11-18-13(2)16(19-12)20-7-9-21(10-8-20)17(23)14-3-5-15(22)6-4-14/h11,14-15,22H,3-10H2,1-2H3
InChIKeyWNYMOZUXKHYLAX-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.29
Rot. Bonds2

About [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4-hydroxycyclohexyl)methanone

[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4-hydroxycyclohexyl)methanone (PubChem CID 77081669) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4-hydroxycyclohexyl)methanone.

Molecular Properties

Compound Name[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4-hydroxycyclohexyl)methanone
PubChem CID77081669
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4-hydroxycyclohexyl)methanone
SMILESCc1cnc(C)c(N2CCN(C(=O)C3CCC(O)CC3)CC2)n1
InChIInChI=1S/C17H26N4O2/c1-12-11-18-13(2)16(19-12)20-7-9-21(10-8-20)17(23)14-3-5-15(22)6-4-14/h11,14-15,22H,3-10H2,1-2H3
InChIKeyWNYMOZUXKHYLAX-UHFFFAOYSA-N
XLogP1.29
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 96576277
CID 96576278
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CID 119065561
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CID 126436391
CID 126436391
CID 126436392
CID 126436392
CID 133468817
CID 133468817
CID 133468891
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CID 133469558
CID 133469558

Frequently Asked Questions

What is the IUPAC name of [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4-hydroxycyclohexyl)methanone?
The IUPAC name of [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4-hydroxycyclohexyl)methanone (CID 77081669) is [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4-hydroxycyclohexyl)methanone.
What is the SMILES notation for [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4-hydroxycyclohexyl)methanone?
The canonical SMILES for [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4-hydroxycyclohexyl)methanone is Cc1cnc(C)c(N2CCN(C(=O)C3CCC(O)CC3)CC2)n1.
What is the InChIKey of [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4-hydroxycyclohexyl)methanone?
The InChIKey is WNYMOZUXKHYLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12-11-18-13(2)16(19-12)20-7-9-21(10-8-20)17(23)14-3-5-15(22)6-4-14/h11,14-15,22H,3-10H2,1-2H3.
What are the key properties of [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4-hydroxycyclohexyl)methanone?
[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4-hydroxycyclohexyl)methanone has a molecular weight of 318.42 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-(4-hydroxycyclohexyl)methanone is sourced from PubChem (CID 77081669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).