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

C21H32N4O3 — CID 72840777

IUPAC4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCCN1CCN(C(=O)CCC2CCN(C(=O)c3cc(C)[nH]c(=O)c3)CC2)CC1
InChIInChI=1S/C21H32N4O3/c1-3-23-10-12-24(13-11-23)20(27)5-4-17-6-8-25(9-7-17)21(28)18-14-16(2)22-19(26)15-18/h14-15,17H,3-13H2,1-2H3,(H,22,26)
InChIKeyVTJKPMMKIZYAJF-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.48
Rot. Bonds5

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

4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (PubChem CID 72840777) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
PubChem CID72840777
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCCN1CCN(C(=O)CCC2CCN(C(=O)c3cc(C)[nH]c(=O)c3)CC2)CC1
InChIInChI=1S/C21H32N4O3/c1-3-23-10-12-24(13-11-23)20(27)5-4-17-6-8-25(9-7-17)21(28)18-14-16(2)22-19(26)15-18/h14-15,17H,3-13H2,1-2H3,(H,22,26)
InChIKeyVTJKPMMKIZYAJF-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 4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (CID 72840777) is 4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is CCN1CCN(C(=O)CCC2CCN(C(=O)c3cc(C)[nH]c(=O)c3)CC2)CC1.
What is the InChIKey of 4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is VTJKPMMKIZYAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-3-23-10-12-24(13-11-23)20(27)5-4-17-6-8-25(9-7-17)21(28)18-14-16(2)22-19(26)15-18/h14-15,17H,3-13H2,1-2H3,(H,22,26).
What are the key properties of 4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
4-[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 4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 72840777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).