3-ethyl-1-methyl-4-[1-(1-methyltetrazol-5-yl)propyl]piperazine-2,6-dione

C12H20N6O2 — CID 15550353

IUPAC3-ethyl-1-methyl-4-[1-(1-methyltetrazol-5-yl)propyl]piperazine-2,6-dione
SMILESCCC1C(=O)N(C)C(=O)CN1C(CC)c1nnnn1C
InChIInChI=1S/C12H20N6O2/c1-5-8(11-13-14-15-17(11)4)18-7-10(19)16(3)12(20)9(18)6-2/h8-9H,5-7H2,1-4H3
InChIKeyNVQDQFGVSYVIEU-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.26
Rot. Bonds4

About 3-ethyl-1-methyl-4-[1-(1-methyltetrazol-5-yl)propyl]piperazine-2,6-dione

3-ethyl-1-methyl-4-[1-(1-methyltetrazol-5-yl)propyl]piperazine-2,6-dione (PubChem CID 15550353) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-ethyl-1-methyl-4-[1-(1-methyltetrazol-5-yl)propyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-1-methyl-4-[1-(1-methyltetrazol-5-yl)propyl]piperazine-2,6-dione
PubChem CID15550353
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name3-ethyl-1-methyl-4-[1-(1-methyltetrazol-5-yl)propyl]piperazine-2,6-dione
SMILESCCC1C(=O)N(C)C(=O)CN1C(CC)c1nnnn1C
InChIInChI=1S/C12H20N6O2/c1-5-8(11-13-14-15-17(11)4)18-7-10(19)16(3)12(20)9(18)6-2/h8-9H,5-7H2,1-4H3
InChIKeyNVQDQFGVSYVIEU-UHFFFAOYSA-N
XLogP-0.26
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[1-(1-Methyltetrazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperazin-2-one
CID 128365929
(3S)-1,3-dimethyl-4-{[5-(1-pyrrolidinylmethyl)-1H-tetrazol-1-yl]acetyl}-2-piperazinone
CID 42193750
1-(4-Methylpiperazin-1-yl)-4-(5-methyltetrazol-1-yl)butan-1-one
CID 13138442
4-ethyl-5-(1-methyltetrazol-5-yl)-2,3-dioxopiperazine-1-carbothioic S-acid
CID 20551579
1-(4-Acetylpiperazin-1-yl)-4-(1-methyltetrazol-5-yl)butan-1-one
CID 21295324
1-Ethyl-4-(1-methyltetrazole-5-carbonyl)piperazine-2,3-dione
CID 70373029
1-(4-Methylpiperazin-1-yl)-2-(5-methyltetrazol-1-yl)butan-1-one
CID 140338272
4-Ethyl-5-(1-methyltetrazol-5-yl)-2,3-dioxopiperazine-1-carbaldehyde
CID 173391878
2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 37268796
2-[4-[(1-Propyltetrazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55409219
N,N-diethyl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 55461584
2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55462460

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-4-[1-(1-methyltetrazol-5-yl)propyl]piperazine-2,6-dione?
The IUPAC name of 3-ethyl-1-methyl-4-[1-(1-methyltetrazol-5-yl)propyl]piperazine-2,6-dione (CID 15550353) is 3-ethyl-1-methyl-4-[1-(1-methyltetrazol-5-yl)propyl]piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-1-methyl-4-[1-(1-methyltetrazol-5-yl)propyl]piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-1-methyl-4-[1-(1-methyltetrazol-5-yl)propyl]piperazine-2,6-dione is CCC1C(=O)N(C)C(=O)CN1C(CC)c1nnnn1C.
What is the InChIKey of 3-ethyl-1-methyl-4-[1-(1-methyltetrazol-5-yl)propyl]piperazine-2,6-dione?
The InChIKey is NVQDQFGVSYVIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-5-8(11-13-14-15-17(11)4)18-7-10(19)16(3)12(20)9(18)6-2/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-ethyl-1-methyl-4-[1-(1-methyltetrazol-5-yl)propyl]piperazine-2,6-dione?
3-ethyl-1-methyl-4-[1-(1-methyltetrazol-5-yl)propyl]piperazine-2,6-dione has a molecular weight of 280.33 g/mol, XLogP of -0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-4-[1-(1-methyltetrazol-5-yl)propyl]piperazine-2,6-dione is sourced from PubChem (CID 15550353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).