3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N,N-diethylpropanamide

C18H30N4O — CID 91648254

IUPAC3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCC1CCN(c2nc(C)cnc2C)CC1
InChIInChI=1S/C18H30N4O/c1-5-21(6-2)17(23)8-7-16-9-11-22(12-10-16)18-15(4)19-13-14(3)20-18/h13,16H,5-12H2,1-4H3
InChIKeyDEVQBTSQNFSLRU-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.96
Rot. Bonds6

About 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N,N-diethylpropanamide

3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N,N-diethylpropanamide (PubChem CID 91648254) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N,N-diethylpropanamide
PubChem CID91648254
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCC1CCN(c2nc(C)cnc2C)CC1
InChIInChI=1S/C18H30N4O/c1-5-21(6-2)17(23)8-7-16-9-11-22(12-10-16)18-15(4)19-13-14(3)20-18/h13,16H,5-12H2,1-4H3
InChIKeyDEVQBTSQNFSLRU-UHFFFAOYSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 56897802
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CID 110203834
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CID 124047362
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CID 124078666
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CID 70762560
CID 70762560
CID 91648232
CID 91648232
CID 95223753
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CID 96382768
CID 96382768

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N,N-diethylpropanamide?
The IUPAC name of 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N,N-diethylpropanamide (CID 91648254) is 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N,N-diethylpropanamide?
The canonical SMILES for 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N,N-diethylpropanamide is CCN(CC)C(=O)CCC1CCN(c2nc(C)cnc2C)CC1.
What is the InChIKey of 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N,N-diethylpropanamide?
The InChIKey is DEVQBTSQNFSLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-5-21(6-2)17(23)8-7-16-9-11-22(12-10-16)18-15(4)19-13-14(3)20-18/h13,16H,5-12H2,1-4H3.
What are the key properties of 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N,N-diethylpropanamide?
3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N,N-diethylpropanamide has a molecular weight of 318.47 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N,N-diethylpropanamide is sourced from PubChem (CID 91648254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).