5-amino-1-[3-(3,4-dimethylpiperazin-1-yl)propyl]pyridin-2-one

C14H24N4O — CID 63604666

IUPAC5-amino-1-[3-(3,4-dimethylpiperazin-1-yl)propyl]pyridin-2-one
SMILESCC1CN(CCCn2cc(N)ccc2=O)CCN1C
InChIInChI=1S/C14H24N4O/c1-12-10-17(9-8-16(12)2)6-3-7-18-11-13(15)4-5-14(18)19/h4-5,11-12H,3,6-10,15H2,1-2H3
InChIKeyASMLXKCZPCKVQE-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.46
Rot. Bonds4

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

5-amino-1-[3-(3,4-dimethylpiperazin-1-yl)propyl]pyridin-2-one (PubChem CID 63604666) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-amino-1-[3-(3,4-dimethylpiperazin-1-yl)propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-(3,4-dimethylpiperazin-1-yl)propyl]pyridin-2-one
PubChem CID63604666
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name5-amino-1-[3-(3,4-dimethylpiperazin-1-yl)propyl]pyridin-2-one
SMILESCC1CN(CCCn2cc(N)ccc2=O)CCN1C
InChIInChI=1S/C14H24N4O/c1-12-10-17(9-8-16(12)2)6-3-7-18-11-13(15)4-5-14(18)19/h4-5,11-12H,3,6-10,15H2,1-2H3
InChIKeyASMLXKCZPCKVQE-UHFFFAOYSA-N
XLogP0.46
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.46
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-(3,4-dimethylpiperazin-1-yl)propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-(3,4-dimethylpiperazin-1-yl)propyl]pyridin-2-one (CID 63604666) is 5-amino-1-[3-(3,4-dimethylpiperazin-1-yl)propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-(3,4-dimethylpiperazin-1-yl)propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-(3,4-dimethylpiperazin-1-yl)propyl]pyridin-2-one is CC1CN(CCCn2cc(N)ccc2=O)CCN1C.
What is the InChIKey of 5-amino-1-[3-(3,4-dimethylpiperazin-1-yl)propyl]pyridin-2-one?
The InChIKey is ASMLXKCZPCKVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-12-10-17(9-8-16(12)2)6-3-7-18-11-13(15)4-5-14(18)19/h4-5,11-12H,3,6-10,15H2,1-2H3.
What are the key properties of 5-amino-1-[3-(3,4-dimethylpiperazin-1-yl)propyl]pyridin-2-one?
5-amino-1-[3-(3,4-dimethylpiperazin-1-yl)propyl]pyridin-2-one has a molecular weight of 264.37 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(3,4-dimethylpiperazin-1-yl)propyl]pyridin-2-one is sourced from PubChem (CID 63604666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).