4-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]acetyl]piperazin-2-one

C16H24N4O2 — CID 71999884

IUPAC4-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]acetyl]piperazin-2-one
SMILESCc1cccnc1C(NCC(=O)N1CCNC(=O)C1)C(C)C
InChIInChI=1S/C16H24N4O2/c1-11(2)15(16-12(3)5-4-6-18-16)19-9-14(22)20-8-7-17-13(21)10-20/h4-6,11,15,19H,7-10H2,1-3H3,(H,17,21)
InChIKeyWUWGMVRAEVIIKT-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.64
Rot. Bonds5

About 4-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]acetyl]piperazin-2-one

4-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]acetyl]piperazin-2-one (PubChem CID 71999884) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]acetyl]piperazin-2-one
PubChem CID71999884
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name4-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]acetyl]piperazin-2-one
SMILESCc1cccnc1C(NCC(=O)N1CCNC(=O)C1)C(C)C
InChIInChI=1S/C16H24N4O2/c1-11(2)15(16-12(3)5-4-6-18-16)19-9-14(22)20-8-7-17-13(21)10-20/h4-6,11,15,19H,7-10H2,1-3H3,(H,17,21)
InChIKeyWUWGMVRAEVIIKT-UHFFFAOYSA-N
XLogP0.64
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]acetyl]piperazin-2-one?
The IUPAC name of 4-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]acetyl]piperazin-2-one (CID 71999884) is 4-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]acetyl]piperazin-2-one is Cc1cccnc1C(NCC(=O)N1CCNC(=O)C1)C(C)C.
What is the InChIKey of 4-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]acetyl]piperazin-2-one?
The InChIKey is WUWGMVRAEVIIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11(2)15(16-12(3)5-4-6-18-16)19-9-14(22)20-8-7-17-13(21)10-20/h4-6,11,15,19H,7-10H2,1-3H3,(H,17,21).
What are the key properties of 4-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]acetyl]piperazin-2-one?
4-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]acetyl]piperazin-2-one has a molecular weight of 304.39 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]acetyl]piperazin-2-one is sourced from PubChem (CID 71999884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).