[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone

C15H23N3O2 — CID 79552839

IUPAC[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCCCC2CC(C)O)cn1
InChIInChI=1S/C15H23N3O2/c1-11-9-17-14(10-16-11)15(20)18-7-5-3-4-6-13(18)8-12(2)19/h9-10,12-13,19H,3-8H2,1-2H3
InChIKeyCUUKZCLBCVGGRJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.94
Rot. Bonds3

About [2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone

[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 79552839) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID79552839
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCCCC2CC(C)O)cn1
InChIInChI=1S/C15H23N3O2/c1-11-9-17-14(10-16-11)15(20)18-7-5-3-4-6-13(18)8-12(2)19/h9-10,12-13,19H,3-8H2,1-2H3
InChIKeyCUUKZCLBCVGGRJ-UHFFFAOYSA-N
XLogP1.94
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-hydroxypropyl)azepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 79560105
methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate
CID 61009273
(2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42940211
1-(5-methylpyrazine-2-carbonyl)azepane-2-carboxylic acid
CID 64561466
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 62466811
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
CID 79560605
(3,5-dihydroxyphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 107704806
(2-chlorofuran-3-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 112748131
(1,5-dimethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79547117
[2-(2-hydroxypropyl)piperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 79548607
[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70756795
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79549260

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 79552839) is [2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCCCCC2CC(C)O)cn1.
What is the InChIKey of [2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is CUUKZCLBCVGGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-9-17-14(10-16-11)15(20)18-7-5-3-4-6-13(18)8-12(2)19/h9-10,12-13,19H,3-8H2,1-2H3.
What are the key properties of [2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone?
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 79552839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).