N-amino-N'-cyclopentyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide

C12H21N5O2 — CID 104887109

IUPACN-amino-N'-cyclopentyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide
SMILESCCC1C(=O)NC(=O)CN1/C(=N/C1CCCC1)NN
InChIInChI=1S/C12H21N5O2/c1-2-9-11(19)15-10(18)7-17(9)12(16-13)14-8-5-3-4-6-8/h8-9H,2-7,13H2,1H3,(H,14,16)(H,15,18,19)
InChIKeyFZQYIMYUGYHRCL-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.51
Rot. Bonds2

About N-amino-N'-cyclopentyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide

N-amino-N'-cyclopentyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide (PubChem CID 104887109) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-amino-N'-cyclopentyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide
PubChem CID104887109
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-amino-N'-cyclopentyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide
SMILESCCC1C(=O)NC(=O)CN1/C(=N/C1CCCC1)NN
InChIInChI=1S/C12H21N5O2/c1-2-9-11(19)15-10(18)7-17(9)12(16-13)14-8-5-3-4-6-8/h8-9H,2-7,13H2,1H3,(H,14,16)(H,15,18,19)
InChIKeyFZQYIMYUGYHRCL-UHFFFAOYSA-N
XLogP-0.51
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-cyclohexyl-2,2-dimethyl-3,5-dioxopiperazine-1-carboximidamide
CID 104887058
4-[2-(cyclopentylamino)acetyl]-3-ethylpiperazine-2,6-dione
CID 66067412
4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione
CID 66069530
3-(2-ethyl-3,5-dioxopiperazin-1-yl)-3-oxopropanethioamide
CID 66069349
2-ethyl-3,5-dioxo-N-propylpiperazine-1-carboxamide
CID 66068741
4-[2-(1-aminocyclobutyl)acetyl]-3-ethylpiperazine-2,6-dione
CID 79854148
4-(2-chloroacetyl)-3-ethylpiperazine-2,6-dione
CID 66068113
2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetohydrazide
CID 66069169
4-(2-amino-1-methylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione
CID 82768361
4-[(2S)-2-amino-3-methylbutanoyl]-3-ethylpiperazine-2,6-dione
CID 79026797
4-(2,2-dimethylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione
CID 107180561
3-ethyl-4-[(2S)-oxolane-2-carbonyl]piperazine-2,6-dione
CID 113462493

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopentyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide?
The IUPAC name of N-amino-N'-cyclopentyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide (CID 104887109) is N-amino-N'-cyclopentyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopentyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopentyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide is CCC1C(=O)NC(=O)CN1/C(=N/C1CCCC1)NN.
What is the InChIKey of N-amino-N'-cyclopentyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide?
The InChIKey is FZQYIMYUGYHRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-2-9-11(19)15-10(18)7-17(9)12(16-13)14-8-5-3-4-6-8/h8-9H,2-7,13H2,1H3,(H,14,16)(H,15,18,19).
What are the key properties of N-amino-N'-cyclopentyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide?
N-amino-N'-cyclopentyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide has a molecular weight of 267.33 g/mol, XLogP of -0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide is sourced from PubChem (CID 104887109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).