1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]azepan-2-one

C19H32N4O3 — CID 55442010

IUPAC1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]azepan-2-one
SMILESO=C(CN1CCN(C(=O)CN2CCCCCC2=O)CC1)N1CCCCC1
InChIInChI=1S/C19H32N4O3/c24-17-7-3-1-4-10-23(17)16-19(26)22-13-11-20(12-14-22)15-18(25)21-8-5-2-6-9-21/h1-16H2
InChIKeyDEDHLNLEVTWVOH-UHFFFAOYSA-N
MW364.49 g/mol
LogP0.55
Rot. Bonds4

About 1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]azepan-2-one

1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]azepan-2-one (PubChem CID 55442010) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]azepan-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]azepan-2-one
PubChem CID55442010
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]azepan-2-one
SMILESO=C(CN1CCN(C(=O)CN2CCCCCC2=O)CC1)N1CCCCC1
InChIInChI=1S/C19H32N4O3/c24-17-7-3-1-4-10-23(17)16-19(26)22-13-11-20(12-14-22)15-18(25)21-8-5-2-6-9-21/h1-16H2
InChIKeyDEDHLNLEVTWVOH-UHFFFAOYSA-N
XLogP0.55
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]azepan-2-one with MolForge

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Related Compounds

1,6-Bis(4,4-dimethylpiperazin-4-ium-1-yl)hexane-1,6-dione dibromide
CID 44293316
1,6-Bis(4-methylpiperazin-1-yl)hexane-1,6-dione;dihydrochloride
CID 45260181
1-(2-Oxo-2-piperidin-1-ylethyl)azepan-2-one
CID 40230893
1,6-Bis(2,4-dimethylpiperazin-1-yl)hexane-1,6-dione
CID 56804191
1-(4-methylpiperazin-1-yl)-2-[(3S)-3-(4-methylpiperazin-1-yl)azepan-1-yl]ethanone
CID 97803391
1,6-Bis(4-methylpiperazin-1-yl)hexane-1,6-dione
CID 3455784
1,6-Bis(4,4-dimethylpiperazin-4-ium-1-yl)hexane-1,6-dione
CID 44293317
1,7-Bis(4-methylpiperazin-1-yl)heptane-1,7-dione
CID 19981256
1-[2-(4-Acetylpiperazin-1-yl)-2-oxoethyl]azepan-2-one
CID 128926489
3-Piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 398725
1,6-Bis(4-ethylpiperazin-1-yl)hexane-1,6-dione
CID 4452472
3-[(3S)-1-[2-(azepan-1-yl)acetyl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 28957612

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]azepan-2-one?
The IUPAC name of 1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]azepan-2-one (CID 55442010) is 1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]azepan-2-one.
What is the SMILES notation for 1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]azepan-2-one?
The canonical SMILES for 1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]azepan-2-one is O=C(CN1CCN(C(=O)CN2CCCCCC2=O)CC1)N1CCCCC1.
What is the InChIKey of 1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]azepan-2-one?
The InChIKey is DEDHLNLEVTWVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c24-17-7-3-1-4-10-23(17)16-19(26)22-13-11-20(12-14-22)15-18(25)21-8-5-2-6-9-21/h1-16H2.
What are the key properties of 1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]azepan-2-one?
1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]azepan-2-one has a molecular weight of 364.49 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]azepan-2-one is sourced from PubChem (CID 55442010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).