4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one

C11H21N3O2 — CID 81080644

IUPAC4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)CC(C)CN
InChIInChI=1S/C11H21N3O2/c1-3-9-11(16)13-4-5-14(9)10(15)6-8(2)7-12/h8-9H,3-7,12H2,1-2H3,(H,13,16)
InChIKeyFGJFKHIDKMOJFS-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.29
Rot. Bonds4

About 4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one

4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one (PubChem CID 81080644) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one
PubChem CID81080644
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)CC(C)CN
InChIInChI=1S/C11H21N3O2/c1-3-9-11(16)13-4-5-14(9)10(15)6-8(2)7-12/h8-9H,3-7,12H2,1-2H3,(H,13,16)
InChIKeyFGJFKHIDKMOJFS-UHFFFAOYSA-N
XLogP-0.29
TPSA75.43 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 ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4-(3-methylpentanoyl)piperazin-2-one
CID 114875520
3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one
CID 63602812
4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one
CID 63600887
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860
4-(2-bromopropanoyl)-3-ethylpiperazin-2-one
CID 107905248
3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one
CID 114282285
(2S)-2-amino-N-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82962479
3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid
CID 64895581
2-[(2-ethyl-3-oxopiperazine-1-carbonyl)-methylamino]acetic acid
CID 55217318
3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
CID 63600882
(2S)-2-ethyl-3-oxopiperazine-1-carbothioamide
CID 95240750
4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-3-ethylpiperazin-2-one
CID 104678212

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one (CID 81080644) is 4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1C(=O)CC(C)CN.
What is the InChIKey of 4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one?
The InChIKey is FGJFKHIDKMOJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-9-11(16)13-4-5-14(9)10(15)6-8(2)7-12/h8-9H,3-7,12H2,1-2H3,(H,13,16).
What are the key properties of 4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one?
4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one has a molecular weight of 227.31 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 81080644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).