2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone

C13H19N3O — CID 112696676

IUPAC2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
SMILESCc1ccc(NCC(=O)N2CCCCC2)nc1
InChIInChI=1S/C13H19N3O/c1-11-5-6-12(14-9-11)15-10-13(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,14,15)
InChIKeyLPOADQLKSXMBBI-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.81
Rot. Bonds3

About 2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone

2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone (PubChem CID 112696676) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
PubChem CID112696676
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
SMILESCc1ccc(NCC(=O)N2CCCCC2)nc1
InChIInChI=1S/C13H19N3O/c1-11-5-6-12(14-9-11)15-10-13(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,14,15)
InChIKeyLPOADQLKSXMBBI-UHFFFAOYSA-N
XLogP1.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone (CID 112696676) is 2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone is Cc1ccc(NCC(=O)N2CCCCC2)nc1.
What is the InChIKey of 2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone?
The InChIKey is LPOADQLKSXMBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-11-5-6-12(14-9-11)15-10-13(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,14,15).
What are the key properties of 2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone?
2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone has a molecular weight of 233.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 112696676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).