1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone

C12H19N3O3 — CID 90512375

IUPAC1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CN(C(C)=O)C2)CC1
InChIInChI=1S/C12H19N3O3/c1-9(16)13-3-5-14(6-4-13)12(18)11-7-15(8-11)10(2)17/h11H,3-8H2,1-2H3
InChIKeyLSDBGYNNCJWHRR-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.84
Rot. Bonds1

About 1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone

1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 90512375) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID90512375
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CN(C(C)=O)C2)CC1
InChIInChI=1S/C12H19N3O3/c1-9(16)13-3-5-14(6-4-13)12(18)11-7-15(8-11)10(2)17/h11H,3-8H2,1-2H3
InChIKeyLSDBGYNNCJWHRR-UHFFFAOYSA-N
XLogP-0.84
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110686076
1-[3-(4-butan-2-yl-1,4-diazepane-1-carbonyl)azetidin-1-yl]ethanone
CID 91597919
4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783969
1-(1-acetylazetidin-3-yl)ethanone;ethane
CID 144882455
1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone
CID 90513796
1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone
CID 60894221
1-[4-(1,1-dioxothiane-4-carbonyl)piperazin-1-yl]ethanone
CID 110850378
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
aziridin-1-yl(cyclohexyl)methanone
CID 2309619

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone (CID 90512375) is 1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)C2CN(C(C)=O)C2)CC1.
What is the InChIKey of 1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is LSDBGYNNCJWHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9(16)13-3-5-14(6-4-13)12(18)11-7-15(8-11)10(2)17/h11H,3-8H2,1-2H3.
What are the key properties of 1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone?
1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 253.30 g/mol, XLogP of -0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 90512375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).