4-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperazin-2-one

C15H24N4O — CID 80628801

IUPAC4-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperazin-2-one
SMILESCc1cc(CNC(C)(C)C)cnc1N1CCNC(=O)C1
InChIInChI=1S/C15H24N4O/c1-11-7-12(9-18-15(2,3)4)8-17-14(11)19-6-5-16-13(20)10-19/h7-8,18H,5-6,9-10H2,1-4H3,(H,16,20)
InChIKeyDAIGVGDCFURUDJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.21
Rot. Bonds3

About 4-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperazin-2-one

4-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperazin-2-one (PubChem CID 80628801) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperazin-2-one
PubChem CID80628801
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperazin-2-one
SMILESCc1cc(CNC(C)(C)C)cnc1N1CCNC(=O)C1
InChIInChI=1S/C15H24N4O/c1-11-7-12(9-18-15(2,3)4)8-17-14(11)19-6-5-16-13(20)10-19/h7-8,18H,5-6,9-10H2,1-4H3,(H,16,20)
InChIKeyDAIGVGDCFURUDJ-UHFFFAOYSA-N
XLogP1.21
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperazin-2-one?
The IUPAC name of 4-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperazin-2-one (CID 80628801) is 4-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperazin-2-one is Cc1cc(CNC(C)(C)C)cnc1N1CCNC(=O)C1.
What is the InChIKey of 4-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperazin-2-one?
The InChIKey is DAIGVGDCFURUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11-7-12(9-18-15(2,3)4)8-17-14(11)19-6-5-16-13(20)10-19/h7-8,18H,5-6,9-10H2,1-4H3,(H,16,20).
What are the key properties of 4-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperazin-2-one?
4-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperazin-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperazin-2-one is sourced from PubChem (CID 80628801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).