3-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

C21H32N4O3 — CID 28697255

IUPAC3-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCCN1CCN(C(=O)CCC2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)CC1
InChIInChI=1S/C21H32N4O3/c1-3-23-12-14-24(15-13-23)19(26)7-5-17-8-10-25(11-9-17)21(28)18-6-4-16(2)22-20(18)27/h4,6,17H,3,5,7-15H2,1-2H3,(H,22,27)
InChIKeyFFSWWEVWILEHHK-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.48
Rot. Bonds5

About 3-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

3-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (PubChem CID 28697255) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
PubChem CID28697255
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name3-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCCN1CCN(C(=O)CCC2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)CC1
InChIInChI=1S/C21H32N4O3/c1-3-23-12-14-24(15-13-23)19(26)7-5-17-8-10-25(11-9-17)21(28)18-6-4-16(2)22-20(18)27/h4,6,17H,3,5,7-15H2,1-2H3,(H,22,27)
InChIKeyFFSWWEVWILEHHK-UHFFFAOYSA-N
XLogP1.48
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (CID 28697255) is 3-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is CCN1CCN(C(=O)CCC2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)CC1.
What is the InChIKey of 3-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is FFSWWEVWILEHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-3-23-12-14-24(15-13-23)19(26)7-5-17-8-10-25(11-9-17)21(28)18-6-4-16(2)22-20(18)27/h4,6,17H,3,5,7-15H2,1-2H3,(H,22,27).
What are the key properties of 3-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
3-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 388.51 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 28697255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).