cyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone

C20H27N5O — CID 124987285

IUPACcyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
SMILESCn1ccnc1-c1nccnc1C[C@H]1CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C20H27N5O/c1-24-12-10-23-19(24)18-17(21-8-9-22-18)13-15-5-4-11-25(14-15)20(26)16-6-2-3-7-16/h8-10,12,15-16H,2-7,11,13-14H2,1H3/t15-/m1/s1
InChIKeyOENPQPSXGSUPKF-OAHLLOKOSA-N
MW353.47 g/mol
LogP2.85
Rot. Bonds4

About cyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone

cyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone (PubChem CID 124987285) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is cyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
PubChem CID124987285
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Namecyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
SMILESCn1ccnc1-c1nccnc1C[C@H]1CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C20H27N5O/c1-24-12-10-23-19(24)18-17(21-8-9-22-18)13-15-5-4-11-25(14-15)20(26)16-6-2-3-7-16/h8-10,12,15-16H,2-7,11,13-14H2,1H3/t15-/m1/s1
InChIKeyOENPQPSXGSUPKF-OAHLLOKOSA-N
XLogP2.85
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 125025489
2-(1-methylimidazol-2-yl)-3-[[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]methyl]pyrazine
CID 125021370
cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methanone
CID 124993993
1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124961929
2-(1-methylimidazol-2-yl)-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrazine
CID 124968603
[(3S)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 124976884
(4,4-difluorocyclohexyl)-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 110113321
1-[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125023202
3-[(1-acetylpiperidin-3-yl)methyl]-N-cyclohexylpyrazine-2-carboxamide
CID 110271533
3-[(1-methylpiperidin-3-yl)methyl]pyrazine-2-carboxylic acid
CID 167995771
[(3S)-3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 125023073
1-[3-[[3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110100485

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone (CID 124987285) is cyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone is Cn1ccnc1-c1nccnc1C[C@H]1CCCN(C(=O)C2CCCC2)C1.
What is the InChIKey of cyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is OENPQPSXGSUPKF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27N5O/c1-24-12-10-23-19(24)18-17(21-8-9-22-18)13-15-5-4-11-25(14-15)20(26)16-6-2-3-7-16/h8-10,12,15-16H,2-7,11,13-14H2,1H3/t15-/m1/s1.
What are the key properties of cyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone?
cyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 124987285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).