5-amino-1-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]pyridin-2-one

C15H26N4O — CID 63603465

IUPAC5-amino-1-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]pyridin-2-one
SMILESCCC1CN(CCCn2cc(N)ccc2=O)CCN1C
InChIInChI=1S/C15H26N4O/c1-3-14-12-18(10-9-17(14)2)7-4-8-19-11-13(16)5-6-15(19)20/h5-6,11,14H,3-4,7-10,12,16H2,1-2H3
InChIKeyYYFOPZGZURYWSX-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.85
Rot. Bonds5

About 5-amino-1-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]pyridin-2-one

5-amino-1-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]pyridin-2-one (PubChem CID 63603465) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-amino-1-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]pyridin-2-one
PubChem CID63603465
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name5-amino-1-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]pyridin-2-one
SMILESCCC1CN(CCCn2cc(N)ccc2=O)CCN1C
InChIInChI=1S/C15H26N4O/c1-3-14-12-18(10-9-17(14)2)7-4-8-19-11-13(16)5-6-15(19)20/h5-6,11,14H,3-4,7-10,12,16H2,1-2H3
InChIKeyYYFOPZGZURYWSX-UHFFFAOYSA-N
XLogP0.85
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]pyridin-2-one (CID 63603465) is 5-amino-1-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]pyridin-2-one is CCC1CN(CCCn2cc(N)ccc2=O)CCN1C.
What is the InChIKey of 5-amino-1-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]pyridin-2-one?
The InChIKey is YYFOPZGZURYWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-14-12-18(10-9-17(14)2)7-4-8-19-11-13(16)5-6-15(19)20/h5-6,11,14H,3-4,7-10,12,16H2,1-2H3.
What are the key properties of 5-amino-1-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]pyridin-2-one?
5-amino-1-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]pyridin-2-one has a molecular weight of 278.40 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]pyridin-2-one is sourced from PubChem (CID 63603465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).