6-(4-acetylpiperazin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one

C16H28N4O3 — CID 163200045

IUPAC6-(4-acetylpiperazin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
SMILESCC(=O)N1CCN(C2CC(N3CCOC[C@H]3C)CC(=O)N2)CC1
InChIInChI=1S/C16H28N4O3/c1-12-11-23-8-7-20(12)14-9-15(17-16(22)10-14)19-5-3-18(4-6-19)13(2)21/h12,14-15H,3-11H2,1-2H3,(H,17,22)/t12-,14?,15?/m1/s1
InChIKeyYGDNBIDVGXZGIO-LRVUVFPRSA-N
MW324.43 g/mol
LogP-0.52
Rot. Bonds2

About 6-(4-acetylpiperazin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one

6-(4-acetylpiperazin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one (PubChem CID 163200045) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
PubChem CID163200045
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name6-(4-acetylpiperazin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
SMILESCC(=O)N1CCN(C2CC(N3CCOC[C@H]3C)CC(=O)N2)CC1
InChIInChI=1S/C16H28N4O3/c1-12-11-23-8-7-20(12)14-9-15(17-16(22)10-14)19-5-3-18(4-6-19)13(2)21/h12,14-15H,3-11H2,1-2H3,(H,17,22)/t12-,14?,15?/m1/s1
InChIKeyYGDNBIDVGXZGIO-LRVUVFPRSA-N
XLogP-0.52
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one (CID 163200045) is 6-(4-acetylpiperazin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one is CC(=O)N1CCN(C2CC(N3CCOC[C@H]3C)CC(=O)N2)CC1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The InChIKey is YGDNBIDVGXZGIO-LRVUVFPRSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-12-11-23-8-7-20(12)14-9-15(17-16(22)10-14)19-5-3-18(4-6-19)13(2)21/h12,14-15H,3-11H2,1-2H3,(H,17,22)/t12-,14?,15?/m1/s1.
What are the key properties of 6-(4-acetylpiperazin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
6-(4-acetylpiperazin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one has a molecular weight of 324.43 g/mol, XLogP of -0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one is sourced from PubChem (CID 163200045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).