N-ethyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide

C9H17N3O2 — CID 53017584

IUPACN-ethyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide
SMILESCCNC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C9H17N3O2/c1-4-10-8(14)12-6-5-11-7(13)9(12,2)3/h4-6H2,1-3H3,(H,10,14)(H,11,13)
InChIKeyGQEQKMBPKCZNHA-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.07
Rot. Bonds1

About N-ethyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide

N-ethyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide (PubChem CID 53017584) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide
PubChem CID53017584
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-ethyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide
SMILESCCNC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C9H17N3O2/c1-4-10-8(14)12-6-5-11-7(13)9(12,2)3/h4-6H2,1-3H3,(H,10,14)(H,11,13)
InChIKeyGQEQKMBPKCZNHA-UHFFFAOYSA-N
XLogP-0.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Dimethyl-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione
CID 6501454
1-Piperidineacetamide,N-[[(1,1-dimethylethyl)amino]carbonyl]-(9CI)
CID 2466075
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
1-tert-Butyl-2-piperazinone
CID 23081084
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
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
5,5-Dimethyl-3-piperidin-1-ylmethyl-imidazolidine-2,4-dione
CID 694448

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-ethyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide (CID 53017584) is N-ethyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide is CCNC(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide?
The InChIKey is GQEQKMBPKCZNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-4-10-8(14)12-6-5-11-7(13)9(12,2)3/h4-6H2,1-3H3,(H,10,14)(H,11,13).
What are the key properties of N-ethyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide?
N-ethyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide has a molecular weight of 199.25 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 53017584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).