2-(1-acetylazetidin-3-yl)oxy-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]ethanone

C16H29N3O3 — CID 136566481

IUPAC2-(1-acetylazetidin-3-yl)oxy-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CC(OCC(=O)N2CCN(C)CC2CC(C)C)C1
InChIInChI=1S/C16H29N3O3/c1-12(2)7-14-8-17(4)5-6-19(14)16(21)11-22-15-9-18(10-15)13(3)20/h12,14-15H,5-11H2,1-4H3
InChIKeyPNIKIDSPCRFPGF-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.42
Rot. Bonds5

About 2-(1-acetylazetidin-3-yl)oxy-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]ethanone

2-(1-acetylazetidin-3-yl)oxy-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]ethanone (PubChem CID 136566481) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(1-acetylazetidin-3-yl)oxy-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-acetylazetidin-3-yl)oxy-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]ethanone
PubChem CID136566481
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name2-(1-acetylazetidin-3-yl)oxy-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CC(OCC(=O)N2CCN(C)CC2CC(C)C)C1
InChIInChI=1S/C16H29N3O3/c1-12(2)7-14-8-17(4)5-6-19(14)16(21)11-22-15-9-18(10-15)13(3)20/h12,14-15H,5-11H2,1-4H3
InChIKeyPNIKIDSPCRFPGF-UHFFFAOYSA-N
XLogP0.42
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]-3-(1-methyltriazol-4-yl)propan-1-one
CID 164632117
1-[3-(2-methylpropyl)azetidin-1-yl]ethanone
CID 130318512
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]propan-1-one
CID 136566459
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(3-ethoxycyclobutyl)ethanone
CID 103165065
[1-methyl-5-(2-methylpropyl)pyrrolidin-3-yl] acetate
CID 176937657
2-(1-methylazetidin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone
CID 166537028
1-[4-[2-(4-methylpiperazin-1-yl)propyl]piperidin-1-yl]ethanone
CID 173117441
3H-imidazo[4,5-c]pyridin-7-yl-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone
CID 136566482
2-chloro-1-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanone
CID 178160134
2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid
CID 66563754
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-propoxypropan-1-one
CID 80505095
2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid
CID 70037623

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylazetidin-3-yl)oxy-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1-acetylazetidin-3-yl)oxy-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]ethanone (CID 136566481) is 2-(1-acetylazetidin-3-yl)oxy-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-acetylazetidin-3-yl)oxy-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-acetylazetidin-3-yl)oxy-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]ethanone is CC(=O)N1CC(OCC(=O)N2CCN(C)CC2CC(C)C)C1.
What is the InChIKey of 2-(1-acetylazetidin-3-yl)oxy-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]ethanone?
The InChIKey is PNIKIDSPCRFPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-12(2)7-14-8-17(4)5-6-19(14)16(21)11-22-15-9-18(10-15)13(3)20/h12,14-15H,5-11H2,1-4H3.
What are the key properties of 2-(1-acetylazetidin-3-yl)oxy-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]ethanone?
2-(1-acetylazetidin-3-yl)oxy-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]ethanone has a molecular weight of 311.43 g/mol, XLogP of 0.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylazetidin-3-yl)oxy-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 136566481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).