3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one

C11H21N3O2 — CID 63602812

IUPAC3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)CNC(C)C
InChIInChI=1S/C11H21N3O2/c1-4-9-11(16)12-5-6-14(9)10(15)7-13-8(2)3/h8-9,13H,4-7H2,1-3H3,(H,12,16)
InChIKeyOQHRWDGRQCQKJL-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.28
Rot. Bonds4

About 3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one

3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one (PubChem CID 63602812) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one
PubChem CID63602812
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)CNC(C)C
InChIInChI=1S/C11H21N3O2/c1-4-9-11(16)12-5-6-14(9)10(15)7-13-8(2)3/h8-9,13H,4-7H2,1-3H3,(H,12,16)
InChIKeyOQHRWDGRQCQKJL-UHFFFAOYSA-N
XLogP-0.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one
CID 63600887
(2S)-2-amino-N-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82962479
3-ethyl-4-(3-methylpentanoyl)piperazin-2-one
CID 114875520
4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one
CID 81080644
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860
4-[3-(cyclopropylamino)propanoyl]-3-ethylpiperazin-2-one
CID 63600881
3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one
CID 114282285
4-(2-bromopropanoyl)-3-ethylpiperazin-2-one
CID 107905248
4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one
CID 63600501
3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
CID 63600882
N-(2-chloropropanoyl)-2-ethyl-3-oxopiperazine-1-carboxamide
CID 55215582
3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 63600127

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one (CID 63602812) is 3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one is CCC1C(=O)NCCN1C(=O)CNC(C)C.
What is the InChIKey of 3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one?
The InChIKey is OQHRWDGRQCQKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-9-11(16)12-5-6-14(9)10(15)7-13-8(2)3/h8-9,13H,4-7H2,1-3H3,(H,12,16).
What are the key properties of 3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one?
3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one has a molecular weight of 227.31 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one is sourced from PubChem (CID 63602812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).