cyclopentyl-[4-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone

C19H25N5O — CID 110099989

IUPACcyclopentyl-[4-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCc1cnc(-c2nccnc2C2CCN(C(=O)C3CCCC3)CC2)[nH]1
InChIInChI=1S/C19H25N5O/c1-13-12-22-18(23-13)17-16(20-8-9-21-17)14-6-10-24(11-7-14)19(25)15-4-2-3-5-15/h8-9,12,14-15H,2-7,10-11H2,1H3,(H,22,23)
InChIKeyUEMDBGWYFGHWIZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.07
Rot. Bonds3

About cyclopentyl-[4-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone

cyclopentyl-[4-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 110099989) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is cyclopentyl-[4-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
PubChem CID110099989
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Namecyclopentyl-[4-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCc1cnc(-c2nccnc2C2CCN(C(=O)C3CCCC3)CC2)[nH]1
InChIInChI=1S/C19H25N5O/c1-13-12-22-18(23-13)17-16(20-8-9-21-17)14-6-10-24(11-7-14)19(25)15-4-2-3-5-15/h8-9,12,14-15H,2-7,10-11H2,1H3,(H,22,23)
InChIKeyUEMDBGWYFGHWIZ-UHFFFAOYSA-N
XLogP3.07
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110110996
[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 125004251
(3,5-difluorophenyl)-[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 124967094
2-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-3-(5-methyl-1H-imidazol-2-yl)pyrazine
CID 110110617
cyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819177
1-[4-[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110131717
1-[4-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110104108
1-[4-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95842023
cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 95730626
[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110110080
4-[[(2R)-2-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125005088
[(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
CID 125012241

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone (CID 110099989) is cyclopentyl-[4-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone is Cc1cnc(-c2nccnc2C2CCN(C(=O)C3CCCC3)CC2)[nH]1.
What is the InChIKey of cyclopentyl-[4-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone?
The InChIKey is UEMDBGWYFGHWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13-12-22-18(23-13)17-16(20-8-9-21-17)14-6-10-24(11-7-14)19(25)15-4-2-3-5-15/h8-9,12,14-15H,2-7,10-11H2,1H3,(H,22,23).
What are the key properties of cyclopentyl-[4-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone?
cyclopentyl-[4-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110099989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).