4-(1-amino-2-methylpropan-2-yl)-3-ethylpiperazin-2-one

C10H21N3O — CID 104523184

IUPAC4-(1-amino-2-methylpropan-2-yl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(C)(C)CN
InChIInChI=1S/C10H21N3O/c1-4-8-9(14)12-5-6-13(8)10(2,3)7-11/h8H,4-7,11H2,1-3H3,(H,12,14)
InChIKeyWDIMHHMSHWTRTG-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.07
Rot. Bonds3

About 4-(1-amino-2-methylpropan-2-yl)-3-ethylpiperazin-2-one

4-(1-amino-2-methylpropan-2-yl)-3-ethylpiperazin-2-one (PubChem CID 104523184) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-(1-amino-2-methylpropan-2-yl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(1-amino-2-methylpropan-2-yl)-3-ethylpiperazin-2-one
PubChem CID104523184
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-(1-amino-2-methylpropan-2-yl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(C)(C)CN
InChIInChI=1S/C10H21N3O/c1-4-8-9(14)12-5-6-13(8)10(2,3)7-11/h8H,4-7,11H2,1-3H3,(H,12,14)
InChIKeyWDIMHHMSHWTRTG-UHFFFAOYSA-N
XLogP-0.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-amino-2-methylpropyl)-3-ethylpiperazin-2-one;hydrochloride
CID 131089454
4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one
CID 63600469
(2S)-2-ethyl-3-oxopiperazine-1-carbothioamide
CID 95240750
(2-ethyl-3-oxopiperazin-1-yl) 2,2-dimethylpropanoate
CID 174596328
4-(3-aminocyclobutyl)-3-ethylpiperazin-2-one
CID 80561677
4-(4-aminocyclohexyl)-3-ethylpiperazin-2-one
CID 63601827
3-ethyl-4-(2-oxopropyl)piperazin-2-one
CID 63600634
2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid
CID 63600273
4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one
CID 81080644
2,2,2-trifluoroethyl 2-ethyl-3-oxopiperazine-1-carboxylate
CID 63661158
ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate
CID 63603542
4-(cyclopropylmethylsulfonyl)-3-ethylpiperazin-2-one
CID 64987347

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methylpropan-2-yl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(1-amino-2-methylpropan-2-yl)-3-ethylpiperazin-2-one (CID 104523184) is 4-(1-amino-2-methylpropan-2-yl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(1-amino-2-methylpropan-2-yl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(1-amino-2-methylpropan-2-yl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1C(C)(C)CN.
What is the InChIKey of 4-(1-amino-2-methylpropan-2-yl)-3-ethylpiperazin-2-one?
The InChIKey is WDIMHHMSHWTRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-8-9(14)12-5-6-13(8)10(2,3)7-11/h8H,4-7,11H2,1-3H3,(H,12,14).
What are the key properties of 4-(1-amino-2-methylpropan-2-yl)-3-ethylpiperazin-2-one?
4-(1-amino-2-methylpropan-2-yl)-3-ethylpiperazin-2-one has a molecular weight of 199.30 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-methylpropan-2-yl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 104523184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).