2-chloro-1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone

C16H20ClN5O — CID 175657175

IUPAC2-chloro-1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCCc1nccn1-c1nccnc1C1CCN(C(=O)CCl)CC1
InChIInChI=1S/C16H20ClN5O/c1-2-13-18-7-10-22(13)16-15(19-5-6-20-16)12-3-8-21(9-4-12)14(23)11-17/h5-7,10,12H,2-4,8-9,11H2,1H3
InChIKeyJKUYPGQHGVZBCP-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.17
Rot. Bonds4

About 2-chloro-1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone

2-chloro-1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 175657175) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-chloro-1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID175657175
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name2-chloro-1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCCc1nccn1-c1nccnc1C1CCN(C(=O)CCl)CC1
InChIInChI=1S/C16H20ClN5O/c1-2-13-18-7-10-22(13)16-15(19-5-6-20-16)12-3-8-21(9-4-12)14(23)11-17/h5-7,10,12H,2-4,8-9,11H2,1H3
InChIKeyJKUYPGQHGVZBCP-UHFFFAOYSA-N
XLogP2.17
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95810981
1-[(3R)-3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 95810979
2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazine
CID 95810910
[3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110250053
2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine
CID 110250066
2-(2-ethylimidazol-1-yl)-3-methylpyrazine
CID 83066556
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 72861942
cyclopentyl-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95815658
[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95815613
2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90492733
2-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 110268056
N-[[3-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]-1-methylpyrazol-5-yl]methyl]-N-methylacetamide
CID 110092567

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 175657175) is 2-chloro-1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone is CCc1nccn1-c1nccnc1C1CCN(C(=O)CCl)CC1.
What is the InChIKey of 2-chloro-1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is JKUYPGQHGVZBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-2-13-18-7-10-22(13)16-15(19-5-6-20-16)12-3-8-21(9-4-12)14(23)11-17/h5-7,10,12H,2-4,8-9,11H2,1H3.
What are the key properties of 2-chloro-1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
2-chloro-1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 333.82 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 175657175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).