(5-chloropyrazin-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone

C15H23ClN4O — CID 107257834

IUPAC(5-chloropyrazin-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
SMILESCCN(CC)CC1CCN(C(=O)c2cnc(Cl)cn2)CC1
InChIInChI=1S/C15H23ClN4O/c1-3-19(4-2)11-12-5-7-20(8-6-12)15(21)13-9-18-14(16)10-17-13/h9-10,12H,3-8,11H2,1-2H3
InChIKeyBHVOTUJSMFMWAD-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.32
Rot. Bonds5

About (5-chloropyrazin-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone

(5-chloropyrazin-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone (PubChem CID 107257834) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is (5-chloropyrazin-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloropyrazin-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
PubChem CID107257834
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name(5-chloropyrazin-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
SMILESCCN(CC)CC1CCN(C(=O)c2cnc(Cl)cn2)CC1
InChIInChI=1S/C15H23ClN4O/c1-3-19(4-2)11-12-5-7-20(8-6-12)15(21)13-9-18-14(16)10-17-13/h9-10,12H,3-8,11H2,1-2H3
InChIKeyBHVOTUJSMFMWAD-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloropyrazin-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-chloropyrazin-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone (CID 107257834) is (5-chloropyrazin-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloropyrazin-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloropyrazin-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone is CCN(CC)CC1CCN(C(=O)c2cnc(Cl)cn2)CC1.
What is the InChIKey of (5-chloropyrazin-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is BHVOTUJSMFMWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-3-19(4-2)11-12-5-7-20(8-6-12)15(21)13-9-18-14(16)10-17-13/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of (5-chloropyrazin-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone?
(5-chloropyrazin-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 310.83 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloropyrazin-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 107257834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).