1-(1-acetylpiperidin-4-yl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one

C19H32N4O3 — CID 54540525

IUPAC1-(1-acetylpiperidin-4-yl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one
SMILESCC(=O)N1CCC(N2CCCC(CC(=O)N3CCN(C)CC3)C2=O)CC1
InChIInChI=1S/C19H32N4O3/c1-15(24)21-8-5-17(6-9-21)23-7-3-4-16(19(23)26)14-18(25)22-12-10-20(2)11-13-22/h16-17H,3-14H2,1-2H3
InChIKeyZCWAZWCKVDWQCF-UHFFFAOYSA-N
MW364.49 g/mol
LogP0.40
Rot. Bonds3

About 1-(1-acetylpiperidin-4-yl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one

1-(1-acetylpiperidin-4-yl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one (PubChem CID 54540525) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one
PubChem CID54540525
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one
SMILESCC(=O)N1CCC(N2CCCC(CC(=O)N3CCN(C)CC3)C2=O)CC1
InChIInChI=1S/C19H32N4O3/c1-15(24)21-8-5-17(6-9-21)23-7-3-4-16(19(23)26)14-18(25)22-12-10-20(2)11-13-22/h16-17H,3-14H2,1-2H3
InChIKeyZCWAZWCKVDWQCF-UHFFFAOYSA-N
XLogP0.40
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one (CID 54540525) is 1-(1-acetylpiperidin-4-yl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one is CC(=O)N1CCC(N2CCCC(CC(=O)N3CCN(C)CC3)C2=O)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one?
The InChIKey is ZCWAZWCKVDWQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-15(24)21-8-5-17(6-9-21)23-7-3-4-16(19(23)26)14-18(25)22-12-10-20(2)11-13-22/h16-17H,3-14H2,1-2H3.
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one?
1-(1-acetylpiperidin-4-yl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one has a molecular weight of 364.49 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 54540525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).