4-(2-amino-1-pyridin-2-ylpropyl)-3-methylpiperazin-2-one

C13H20N4O — CID 63594897

IUPAC4-(2-amino-1-pyridin-2-ylpropyl)-3-methylpiperazin-2-one
SMILESCC(N)C(c1ccccn1)N1CCNC(=O)C1C
InChIInChI=1S/C13H20N4O/c1-9(14)12(11-5-3-4-6-15-11)17-8-7-16-13(18)10(17)2/h3-6,9-10,12H,7-8,14H2,1-2H3,(H,16,18)
InChIKeyKRCCLAVRGKEGRN-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.29
Rot. Bonds3

About 4-(2-amino-1-pyridin-2-ylpropyl)-3-methylpiperazin-2-one

4-(2-amino-1-pyridin-2-ylpropyl)-3-methylpiperazin-2-one (PubChem CID 63594897) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(2-amino-1-pyridin-2-ylpropyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-1-pyridin-2-ylpropyl)-3-methylpiperazin-2-one
PubChem CID63594897
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-(2-amino-1-pyridin-2-ylpropyl)-3-methylpiperazin-2-one
SMILESCC(N)C(c1ccccn1)N1CCNC(=O)C1C
InChIInChI=1S/C13H20N4O/c1-9(14)12(11-5-3-4-6-15-11)17-8-7-16-13(18)10(17)2/h3-6,9-10,12H,7-8,14H2,1-2H3,(H,16,18)
InChIKeyKRCCLAVRGKEGRN-UHFFFAOYSA-N
XLogP0.29
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-pyridin-2-ylpropyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(2-amino-1-pyridin-2-ylpropyl)-3-methylpiperazin-2-one (CID 63594897) is 4-(2-amino-1-pyridin-2-ylpropyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-amino-1-pyridin-2-ylpropyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(2-amino-1-pyridin-2-ylpropyl)-3-methylpiperazin-2-one is CC(N)C(c1ccccn1)N1CCNC(=O)C1C.
What is the InChIKey of 4-(2-amino-1-pyridin-2-ylpropyl)-3-methylpiperazin-2-one?
The InChIKey is KRCCLAVRGKEGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(14)12(11-5-3-4-6-15-11)17-8-7-16-13(18)10(17)2/h3-6,9-10,12H,7-8,14H2,1-2H3,(H,16,18).
What are the key properties of 4-(2-amino-1-pyridin-2-ylpropyl)-3-methylpiperazin-2-one?
4-(2-amino-1-pyridin-2-ylpropyl)-3-methylpiperazin-2-one has a molecular weight of 248.33 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-pyridin-2-ylpropyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 63594897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).