N-butan-2-yl-2,2-dimethyl-3-oxopiperazine-1-carboxamide

C11H21N3O2 — CID 53017586

IUPACN-butan-2-yl-2,2-dimethyl-3-oxopiperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C11H21N3O2/c1-5-8(2)13-10(16)14-7-6-12-9(15)11(14,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,16)
InChIKeyZBRHRUKXPJRYSR-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.70
Rot. Bonds2

About N-butan-2-yl-2,2-dimethyl-3-oxopiperazine-1-carboxamide

N-butan-2-yl-2,2-dimethyl-3-oxopiperazine-1-carboxamide (PubChem CID 53017586) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-butan-2-yl-2,2-dimethyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2,2-dimethyl-3-oxopiperazine-1-carboxamide
PubChem CID53017586
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-butan-2-yl-2,2-dimethyl-3-oxopiperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C11H21N3O2/c1-5-8(2)13-10(16)14-7-6-12-9(15)11(14,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,16)
InChIKeyZBRHRUKXPJRYSR-UHFFFAOYSA-N
XLogP0.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-butan-2-yl-2,2-dimethyl-3-oxopiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-Dimethyl-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione
CID 6501454
1-Ethyl-3-[1-oxo-1-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-yl]urea
CID 44613717
N-(pentan-3-yl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 49853777
6,6-Dimethyl-1-(propan-2-yl)piperazin-2-one
CID 54594482
5,5-Dimethyl-3-(2-piperazin-1-ylethyl)imidazolidine-2,4-dione
CID 43162333
N,N-dimethyl-4-[2-oxo-2-(pentan-3-ylamino)ethyl]piperazine-1-carboxamide
CID 45815835
N-(2-methoxyethyl)-4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 72023436
2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 75443708
5,5-Dimethyl-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 137649325
N-(3-methylbutyl)-3-oxopiperazine-1-carboxamide
CID 172433619
N-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 172434219
N-isopropyl-2-(piperazin-1-yl)propanamide
CID 13454833

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,2-dimethyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-butan-2-yl-2,2-dimethyl-3-oxopiperazine-1-carboxamide (CID 53017586) is N-butan-2-yl-2,2-dimethyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-2,2-dimethyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-butan-2-yl-2,2-dimethyl-3-oxopiperazine-1-carboxamide is CCC(C)NC(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of N-butan-2-yl-2,2-dimethyl-3-oxopiperazine-1-carboxamide?
The InChIKey is ZBRHRUKXPJRYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-5-8(2)13-10(16)14-7-6-12-9(15)11(14,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,16).
What are the key properties of N-butan-2-yl-2,2-dimethyl-3-oxopiperazine-1-carboxamide?
N-butan-2-yl-2,2-dimethyl-3-oxopiperazine-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,2-dimethyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 53017586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).