(2,5-diethylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone

C15H23N3O — CID 64978507

IUPAC(2,5-diethylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone
SMILESCCC1CN(C(=O)c2ccc(C)nc2)C(CC)CN1
InChIInChI=1S/C15H23N3O/c1-4-13-10-18(14(5-2)9-17-13)15(19)12-7-6-11(3)16-8-12/h6-8,13-14,17H,4-5,9-10H2,1-3H3
InChIKeyAPFIAYQXGNOIRU-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.99
Rot. Bonds3

About (2,5-diethylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone

(2,5-diethylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone (PubChem CID 64978507) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2,5-diethylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2,5-diethylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone
PubChem CID64978507
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2,5-diethylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone
SMILESCCC1CN(C(=O)c2ccc(C)nc2)C(CC)CN1
InChIInChI=1S/C15H23N3O/c1-4-13-10-18(14(5-2)9-17-13)15(19)12-7-6-11(3)16-8-12/h6-8,13-14,17H,4-5,9-10H2,1-3H3
InChIKeyAPFIAYQXGNOIRU-UHFFFAOYSA-N
XLogP1.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-diethylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of (2,5-diethylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone (CID 64978507) is (2,5-diethylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (2,5-diethylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for (2,5-diethylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone is CCC1CN(C(=O)c2ccc(C)nc2)C(CC)CN1.
What is the InChIKey of (2,5-diethylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone?
The InChIKey is APFIAYQXGNOIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-13-10-18(14(5-2)9-17-13)15(19)12-7-6-11(3)16-8-12/h6-8,13-14,17H,4-5,9-10H2,1-3H3.
What are the key properties of (2,5-diethylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone?
(2,5-diethylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone has a molecular weight of 261.37 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-diethylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 64978507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).