[2-methyl-1-(4-methyl-3-oxopiperazin-1-yl)propan-2-yl] carbamate

C10H19N3O3 — CID 151685757

IUPAC[2-methyl-1-(4-methyl-3-oxopiperazin-1-yl)propan-2-yl] carbamate
SMILESCN1CCN(CC(C)(C)OC(N)=O)CC1=O
InChIInChI=1S/C10H19N3O3/c1-10(2,16-9(11)15)7-13-5-4-12(3)8(14)6-13/h4-7H2,1-3H3,(H2,11,15)
InChIKeyRBMRVOPIOQYMKF-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.37
Rot. Bonds3

About [2-methyl-1-(4-methyl-3-oxopiperazin-1-yl)propan-2-yl] carbamate

[2-methyl-1-(4-methyl-3-oxopiperazin-1-yl)propan-2-yl] carbamate (PubChem CID 151685757) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is [2-methyl-1-(4-methyl-3-oxopiperazin-1-yl)propan-2-yl] carbamate.

Molecular Properties

Compound Name[2-methyl-1-(4-methyl-3-oxopiperazin-1-yl)propan-2-yl] carbamate
PubChem CID151685757
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name[2-methyl-1-(4-methyl-3-oxopiperazin-1-yl)propan-2-yl] carbamate
SMILESCN1CCN(CC(C)(C)OC(N)=O)CC1=O
InChIInChI=1S/C10H19N3O3/c1-10(2,16-9(11)15)7-13-5-4-12(3)8(14)6-13/h4-7H2,1-3H3,(H2,11,15)
InChIKeyRBMRVOPIOQYMKF-UHFFFAOYSA-N
XLogP-0.37
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-methyl-3-oxopiperazin-1-yl)acetate
CID 64693243
2-(4-methyl-3-oxopiperazin-1-yl)acetic acid
CID 55263568
1-(2-amino-2-methylpropyl)-3-methylimidazolidin-4-one
CID 130622371
4-(2-chloroethyl)-1-methylpiperazin-2-one
CID 125497778
ethyl (E)-4-(4-methyl-3-oxopiperazin-1-yl)but-2-enoate
CID 80549204
3,3,3-trifluoro-2-[(4-methyl-3-oxopiperazin-1-yl)methyl]propanoic acid
CID 80996020
5-(4-methyl-3-oxopiperazin-1-yl)pentanehydrazide
CID 64693968
4-(4-amino-4-methylpentanoyl)-1-methylpiperazin-2-one
CID 64682222
4-butyl-1-methylpiperazin-2-one
CID 117005150
ethane;4-methyl-3-oxopiperazine-1-carboxamide
CID 143722944
N-ethyl-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
CID 166062321
4-(3,3-dimethyl-2-oxobutyl)-1-methyl-1,4-diazepan-2-one
CID 102889641

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(4-methyl-3-oxopiperazin-1-yl)propan-2-yl] carbamate?
The IUPAC name of [2-methyl-1-(4-methyl-3-oxopiperazin-1-yl)propan-2-yl] carbamate (CID 151685757) is [2-methyl-1-(4-methyl-3-oxopiperazin-1-yl)propan-2-yl] carbamate.
What is the SMILES notation for [2-methyl-1-(4-methyl-3-oxopiperazin-1-yl)propan-2-yl] carbamate?
The canonical SMILES for [2-methyl-1-(4-methyl-3-oxopiperazin-1-yl)propan-2-yl] carbamate is CN1CCN(CC(C)(C)OC(N)=O)CC1=O.
What is the InChIKey of [2-methyl-1-(4-methyl-3-oxopiperazin-1-yl)propan-2-yl] carbamate?
The InChIKey is RBMRVOPIOQYMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-10(2,16-9(11)15)7-13-5-4-12(3)8(14)6-13/h4-7H2,1-3H3,(H2,11,15).
What are the key properties of [2-methyl-1-(4-methyl-3-oxopiperazin-1-yl)propan-2-yl] carbamate?
[2-methyl-1-(4-methyl-3-oxopiperazin-1-yl)propan-2-yl] carbamate has a molecular weight of 229.28 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(4-methyl-3-oxopiperazin-1-yl)propan-2-yl] carbamate is sourced from PubChem (CID 151685757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).