(4-ethoxy-3-methylpiperazin-2-ylidene)methanone

C8H14N2O2 — CID 176527174

IUPAC(4-ethoxy-3-methylpiperazin-2-ylidene)methanone
SMILESCCON1CCNC(=C=O)C1C
InChIInChI=1S/C8H14N2O2/c1-3-12-10-5-4-9-8(6-11)7(10)2/h7,9H,3-5H2,1-2H3
InChIKeySDWSDGYZSNDQRT-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.05
Rot. Bonds2

About (4-ethoxy-3-methylpiperazin-2-ylidene)methanone

(4-ethoxy-3-methylpiperazin-2-ylidene)methanone (PubChem CID 176527174) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (4-ethoxy-3-methylpiperazin-2-ylidene)methanone.

Molecular Properties

Compound Name(4-ethoxy-3-methylpiperazin-2-ylidene)methanone
PubChem CID176527174
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(4-ethoxy-3-methylpiperazin-2-ylidene)methanone
SMILESCCON1CCNC(=C=O)C1C
InChIInChI=1S/C8H14N2O2/c1-3-12-10-5-4-9-8(6-11)7(10)2/h7,9H,3-5H2,1-2H3
InChIKeySDWSDGYZSNDQRT-UHFFFAOYSA-N
XLogP-0.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-ethoxypyrrolidin-2-ylidene)methanone
CID 176538797
bis(4-ethoxy-3-methylpiperazin-2-yl)methanone
CID 174261469
ethyl 3-(oxomethylidene)piperazine-2-carboxylate
CID 176536438
ethyl 3-oxo-2-[2-(oxomethylidene)pyrrolidin-3-yl]propanoate
CID 88649350
1-ethoxyimidazolidine-2-thione
CID 150378710
1-ethoxy-2-phenylimidazolidine
CID 173143942
1-ethoxy-2-propylpiperazine
CID 174859898
4-fluoro-3-methylpiperazin-2-one
CID 144979166
4-ethylsulfinyl-3-methylpiperazin-2-one
CID 131072454
N-ethyl-2-methyl-3-oxopiperazine-1-sulfonamide
CID 115638450
ethyl 4-(2-methyl-3-oxopiperazin-1-yl)-3-oxobutanoate
CID 63897377
ethoxyethane;imidazolidin-2-one
CID 143640970

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-methylpiperazin-2-ylidene)methanone?
The IUPAC name of (4-ethoxy-3-methylpiperazin-2-ylidene)methanone (CID 176527174) is (4-ethoxy-3-methylpiperazin-2-ylidene)methanone.
What is the SMILES notation for (4-ethoxy-3-methylpiperazin-2-ylidene)methanone?
The canonical SMILES for (4-ethoxy-3-methylpiperazin-2-ylidene)methanone is CCON1CCNC(=C=O)C1C.
What is the InChIKey of (4-ethoxy-3-methylpiperazin-2-ylidene)methanone?
The InChIKey is SDWSDGYZSNDQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-12-10-5-4-9-8(6-11)7(10)2/h7,9H,3-5H2,1-2H3.
What are the key properties of (4-ethoxy-3-methylpiperazin-2-ylidene)methanone?
(4-ethoxy-3-methylpiperazin-2-ylidene)methanone has a molecular weight of 170.21 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3-methylpiperazin-2-ylidene)methanone is sourced from PubChem (CID 176527174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).