ethyl 2-[3-oxo-1-(piperidine-3-carbonyl)piperazin-2-yl]acetate

C14H23N3O4 — CID 54794436

IUPACethyl 2-[3-oxo-1-(piperidine-3-carbonyl)piperazin-2-yl]acetate
SMILESCCOC(=O)CC1C(=O)NCCN1C(=O)C1CCCNC1
InChIInChI=1S/C14H23N3O4/c1-2-21-12(18)8-11-13(19)16-6-7-17(11)14(20)10-4-3-5-15-9-10/h10-11,15H,2-9H2,1H3,(H,16,19)
InChIKeyIUIJQZBLQWFZRM-UHFFFAOYSA-N
MW297.36 g/mol
LogP-0.73
Rot. Bonds4

About ethyl 2-[3-oxo-1-(piperidine-3-carbonyl)piperazin-2-yl]acetate

ethyl 2-[3-oxo-1-(piperidine-3-carbonyl)piperazin-2-yl]acetate (PubChem CID 54794436) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is ethyl 2-[3-oxo-1-(piperidine-3-carbonyl)piperazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-oxo-1-(piperidine-3-carbonyl)piperazin-2-yl]acetate
PubChem CID54794436
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Nameethyl 2-[3-oxo-1-(piperidine-3-carbonyl)piperazin-2-yl]acetate
SMILESCCOC(=O)CC1C(=O)NCCN1C(=O)C1CCCNC1
InChIInChI=1S/C14H23N3O4/c1-2-21-12(18)8-11-13(19)16-6-7-17(11)14(20)10-4-3-5-15-9-10/h10-11,15H,2-9H2,1H3,(H,16,19)
InChIKeyIUIJQZBLQWFZRM-UHFFFAOYSA-N
XLogP-0.73
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxyethyl 2-[3-oxo-1-(piperidine-3-carbonyl)piperazin-2-yl]acetate
CID 54794823
ethyl 2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetate
CID 18524131
decyl 2-[1-(cyclohexanecarbonyl)-3-oxopiperazin-2-yl]acetate
CID 17093877
2-methoxyethyl 2-[3-oxo-1-(piperidine-4-carbonyl)piperazin-2-yl]acetate
CID 54794481
3-methyl-4-[(3S)-piperidine-3-carbonyl]piperazin-2-one
CID 81139872
pentyl 2-[(2S)-1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 93083224
dodecyl 2-[1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 46736621
ethyl 2-[3-oxo-1-(3-phenylprop-2-enoyl)piperazin-2-yl]acetate
CID 71952358
ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate
CID 81128745
pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate
CID 54789180
3-ethyl-4-[(3S)-piperidine-3-carbonyl]piperazine-2,6-dione
CID 81134425
3-methylbutyl 2-[1-(2-cyclopentylacetyl)-3-oxopiperazin-2-yl]acetate
CID 54786079

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-oxo-1-(piperidine-3-carbonyl)piperazin-2-yl]acetate?
The IUPAC name of ethyl 2-[3-oxo-1-(piperidine-3-carbonyl)piperazin-2-yl]acetate (CID 54794436) is ethyl 2-[3-oxo-1-(piperidine-3-carbonyl)piperazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[3-oxo-1-(piperidine-3-carbonyl)piperazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[3-oxo-1-(piperidine-3-carbonyl)piperazin-2-yl]acetate is CCOC(=O)CC1C(=O)NCCN1C(=O)C1CCCNC1.
What is the InChIKey of ethyl 2-[3-oxo-1-(piperidine-3-carbonyl)piperazin-2-yl]acetate?
The InChIKey is IUIJQZBLQWFZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-2-21-12(18)8-11-13(19)16-6-7-17(11)14(20)10-4-3-5-15-9-10/h10-11,15H,2-9H2,1H3,(H,16,19).
What are the key properties of ethyl 2-[3-oxo-1-(piperidine-3-carbonyl)piperazin-2-yl]acetate?
ethyl 2-[3-oxo-1-(piperidine-3-carbonyl)piperazin-2-yl]acetate has a molecular weight of 297.36 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-oxo-1-(piperidine-3-carbonyl)piperazin-2-yl]acetate is sourced from PubChem (CID 54794436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).