1-(3-amino-5-methylpiperidin-1-yl)-2-pyridin-2-ylethanone

C13H19N3O — CID 79993365

IUPAC1-(3-amino-5-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
SMILESCC1CC(N)CN(C(=O)Cc2ccccn2)C1
InChIInChI=1S/C13H19N3O/c1-10-6-11(14)9-16(8-10)13(17)7-12-4-2-3-5-15-12/h2-5,10-11H,6-9,14H2,1H3
InChIKeyDNVCTXCYSMZMIC-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.82
Rot. Bonds2

About 1-(3-amino-5-methylpiperidin-1-yl)-2-pyridin-2-ylethanone

1-(3-amino-5-methylpiperidin-1-yl)-2-pyridin-2-ylethanone (PubChem CID 79993365) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(3-amino-5-methylpiperidin-1-yl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(3-amino-5-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
PubChem CID79993365
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(3-amino-5-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
SMILESCC1CC(N)CN(C(=O)Cc2ccccn2)C1
InChIInChI=1S/C13H19N3O/c1-10-6-11(14)9-16(8-10)13(17)7-12-4-2-3-5-15-12/h2-5,10-11H,6-9,14H2,1H3
InChIKeyDNVCTXCYSMZMIC-UHFFFAOYSA-N
XLogP0.82
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-methylpiperidin-1-yl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(3-amino-5-methylpiperidin-1-yl)-2-pyridin-2-ylethanone (CID 79993365) is 1-(3-amino-5-methylpiperidin-1-yl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(3-amino-5-methylpiperidin-1-yl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(3-amino-5-methylpiperidin-1-yl)-2-pyridin-2-ylethanone is CC1CC(N)CN(C(=O)Cc2ccccn2)C1.
What is the InChIKey of 1-(3-amino-5-methylpiperidin-1-yl)-2-pyridin-2-ylethanone?
The InChIKey is DNVCTXCYSMZMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-6-11(14)9-16(8-10)13(17)7-12-4-2-3-5-15-12/h2-5,10-11H,6-9,14H2,1H3.
What are the key properties of 1-(3-amino-5-methylpiperidin-1-yl)-2-pyridin-2-ylethanone?
1-(3-amino-5-methylpiperidin-1-yl)-2-pyridin-2-ylethanone has a molecular weight of 233.31 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-methylpiperidin-1-yl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 79993365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).