1-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperidin-3-yl]imidazolidin-2-one

C16H27N5O3 — CID 56799959

IUPAC1-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperidin-3-yl]imidazolidin-2-one
SMILESCC(=O)N1CCN(C(=O)CN2CCCC(N3CCNC3=O)C2)CC1
InChIInChI=1S/C16H27N5O3/c1-13(22)19-7-9-20(10-8-19)15(23)12-18-5-2-3-14(11-18)21-6-4-17-16(21)24/h14H,2-12H2,1H3,(H,17,24)
InChIKeySHLUSUWNLOCHFX-UHFFFAOYSA-N
MW337.42 g/mol
LogP-0.83
Rot. Bonds3

About 1-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperidin-3-yl]imidazolidin-2-one

1-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperidin-3-yl]imidazolidin-2-one (PubChem CID 56799959) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperidin-3-yl]imidazolidin-2-one
PubChem CID56799959
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name1-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperidin-3-yl]imidazolidin-2-one
SMILESCC(=O)N1CCN(C(=O)CN2CCCC(N3CCNC3=O)C2)CC1
InChIInChI=1S/C16H27N5O3/c1-13(22)19-7-9-20(10-8-19)15(23)12-18-5-2-3-14(11-18)21-6-4-17-16(21)24/h14H,2-12H2,1H3,(H,17,24)
InChIKeySHLUSUWNLOCHFX-UHFFFAOYSA-N
XLogP-0.83
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperidin-3-yl]imidazolidin-2-one (CID 56799959) is 1-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperidin-3-yl]imidazolidin-2-one is CC(=O)N1CCN(C(=O)CN2CCCC(N3CCNC3=O)C2)CC1.
What is the InChIKey of 1-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperidin-3-yl]imidazolidin-2-one?
The InChIKey is SHLUSUWNLOCHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-13(22)19-7-9-20(10-8-19)15(23)12-18-5-2-3-14(11-18)21-6-4-17-16(21)24/h14H,2-12H2,1H3,(H,17,24).
What are the key properties of 1-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperidin-3-yl]imidazolidin-2-one?
1-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperidin-3-yl]imidazolidin-2-one has a molecular weight of 337.42 g/mol, XLogP of -0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 56799959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).