[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

C17H23N5O — CID 70756795

IUPAC[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCCC2CCc2nccn2C)cn1
InChIInChI=1S/C17H23N5O/c1-13-11-20-15(12-19-13)17(23)22-9-4-3-5-14(22)6-7-16-18-8-10-21(16)2/h8,10-12,14H,3-7,9H2,1-2H3
InChIKeyRAFCRKUERLBFNY-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.15
Rot. Bonds4

About [2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 70756795) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is [2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID70756795
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCCC2CCc2nccn2C)cn1
InChIInChI=1S/C17H23N5O/c1-13-11-20-15(12-19-13)17(23)22-9-4-3-5-14(22)6-7-16-18-8-10-21(16)2/h8,10-12,14H,3-7,9H2,1-2H3
InChIKeyRAFCRKUERLBFNY-UHFFFAOYSA-N
XLogP2.15
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-5-[2-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 70749178
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 62466811
methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate
CID 61009273
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 79552839
3-[2-[(2S)-2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 96580259
(2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42940211
1-(5-methylpyrazine-2-carbonyl)azepane-2-carboxylic acid
CID 64561466
1-(5-methylpyrazine-2-carbonyl)piperidine-2-carbonitrile
CID 114031881
[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 97118215
(5-aminopyrazin-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 107375180
(5-methylpyrazin-2-yl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110270861
(5-methylpyrazin-2-yl)-[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95156928

Frequently Asked Questions

What is the IUPAC name of [2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 70756795) is [2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCCCC2CCc2nccn2C)cn1.
What is the InChIKey of [2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is RAFCRKUERLBFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-11-20-15(12-19-13)17(23)22-9-4-3-5-14(22)6-7-16-18-8-10-21(16)2/h8,10-12,14H,3-7,9H2,1-2H3.
What are the key properties of [2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 70756795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).