N,2,2-trimethyl-3-oxopiperazine-1-carboxamide

C8H15N3O2 — CID 53017583

IUPACN,2,2-trimethyl-3-oxopiperazine-1-carboxamide
SMILESCNC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C8H15N3O2/c1-8(2)6(12)10-4-5-11(8)7(13)9-3/h4-5H2,1-3H3,(H,9,13)(H,10,12)
InChIKeyQCNUDXMZKMBUTI-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.46
Rot. Bonds

About N,2,2-trimethyl-3-oxopiperazine-1-carboxamide

N,2,2-trimethyl-3-oxopiperazine-1-carboxamide (PubChem CID 53017583) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N,2,2-trimethyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-oxopiperazine-1-carboxamide
PubChem CID53017583
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN,2,2-trimethyl-3-oxopiperazine-1-carboxamide
SMILESCNC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C8H15N3O2/c1-8(2)6(12)10-4-5-11(8)7(13)9-3/h4-5H2,1-3H3,(H,9,13)(H,10,12)
InChIKeyQCNUDXMZKMBUTI-UHFFFAOYSA-N
XLogP-0.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Piperazinone, 3,3-dimethyl-
CID 211157
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
1,3,3-Trimethylpiperazin-2-one hydrochloride
CID 68554123
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
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
1-Tert-butylpiperazine-2,5-dione
CID 59985769
1,3,3-Trimethylpiperazin-2-one
CID 63601948
1-Ethyl-3,3-dimethylpiperazin-2-one hydrochloride
CID 75481606

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of N,2,2-trimethyl-3-oxopiperazine-1-carboxamide (CID 53017583) is N,2,2-trimethyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N,2,2-trimethyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N,2,2-trimethyl-3-oxopiperazine-1-carboxamide is CNC(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of N,2,2-trimethyl-3-oxopiperazine-1-carboxamide?
The InChIKey is QCNUDXMZKMBUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-8(2)6(12)10-4-5-11(8)7(13)9-3/h4-5H2,1-3H3,(H,9,13)(H,10,12).
What are the key properties of N,2,2-trimethyl-3-oxopiperazine-1-carboxamide?
N,2,2-trimethyl-3-oxopiperazine-1-carboxamide has a molecular weight of 185.23 g/mol, XLogP of -0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 53017583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).