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

C14H23N3O3 — CID 110686076

IUPAC1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CCCN(C(C)=O)C2)CC1
InChIInChI=1S/C14H23N3O3/c1-11(18)15-6-8-16(9-7-15)14(20)13-4-3-5-17(10-13)12(2)19/h13H,3-10H2,1-2H3
InChIKeyNXEVGIJIBZPZJY-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.06
Rot. Bonds1

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

1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 110686076) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID110686076
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CCCN(C(C)=O)C2)CC1
InChIInChI=1S/C14H23N3O3/c1-11(18)15-6-8-16(9-7-15)14(20)13-4-3-5-17(10-13)12(2)19/h13H,3-10H2,1-2H3
InChIKeyNXEVGIJIBZPZJY-UHFFFAOYSA-N
XLogP-0.06
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-hydroxy-4-methylazepane-1-carbonyl)piperidin-1-yl]ethanone
CID 107406558
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098
1-acetylpiperidine-3-carboxylic acid
CID 14043896
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone
CID 90512375
1-acetylpiperidine-3-carboxylic acid;ethane
CID 143204854
(3S)-1-acetylpiperidine-3-carboxylate
CID 7131083
4-(1-acetylpiperidine-3-carbonyl)piperazine-2,6-dione
CID 66083193
1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 119577018
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43170987
(2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61137336

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone (CID 110686076) is 1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)C2CCCN(C(C)=O)C2)CC1.
What is the InChIKey of 1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is NXEVGIJIBZPZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-11(18)15-6-8-16(9-7-15)14(20)13-4-3-5-17(10-13)12(2)19/h13H,3-10H2,1-2H3.
What are the key properties of 1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone?
1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 281.36 g/mol, XLogP of -0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110686076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).