bis(4-ethoxy-3-methylpiperazin-2-yl)methanone

C15H30N4O3 — CID 174261469

IUPACbis(4-ethoxy-3-methylpiperazin-2-yl)methanone
SMILESCCON1CCNC(C(=O)C2NCCN(OCC)C2C)C1C
InChIInChI=1S/C15H30N4O3/c1-5-21-18-9-7-16-13(11(18)3)15(20)14-12(4)19(22-6-2)10-8-17-14/h11-14,16-17H,5-10H2,1-4H3
InChIKeySKZMKINQLYQWTE-UHFFFAOYSA-N
MW314.43 g/mol
LogP-0.22
Rot. Bonds6

About bis(4-ethoxy-3-methylpiperazin-2-yl)methanone

bis(4-ethoxy-3-methylpiperazin-2-yl)methanone (PubChem CID 174261469) has the molecular formula C15H30N4O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is bis(4-ethoxy-3-methylpiperazin-2-yl)methanone.

Molecular Properties

Compound Namebis(4-ethoxy-3-methylpiperazin-2-yl)methanone
PubChem CID174261469
Molecular FormulaC15H30N4O3
Molecular Weight314.43 g/mol
Exact Mass314.23
IUPAC Namebis(4-ethoxy-3-methylpiperazin-2-yl)methanone
SMILESCCON1CCNC(C(=O)C2NCCN(OCC)C2C)C1C
InChIInChI=1S/C15H30N4O3/c1-5-21-18-9-7-16-13(11(18)3)15(20)14-12(4)19(22-6-2)10-8-17-14/h11-14,16-17H,5-10H2,1-4H3
InChIKeySKZMKINQLYQWTE-UHFFFAOYSA-N
XLogP-0.22
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

bis(3-ethoxy-1,3-oxazolidin-2-yl)methanone
CID 175298941
1-ethoxyaziridine-2-carboxamide
CID 533738
1-ethoxy-2-phenylimidazolidine
CID 173143942
ethyl 2-(3-methylpiperazin-1-yl)acetate
CID 65450169
(4-ethoxy-3-methylpiperazin-2-ylidene)methanone
CID 176527174
(2-methylimidazolidin-1-yl) acetate
CID 59912739
ethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate
CID 45115923
2-(2-ethoxyethoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119577158
1-ethoxy-2-propylpiperazine
CID 174859898
ethyl 2-[(3R)-3-methylpiperazin-1-yl]pentanoate
CID 104975735
ethyl (2R,3S)-2-methylmorpholine-3-carboxylate
CID 90001541
ethyl 4-methylpiperazine-2-carboxylate
CID 12558522

Frequently Asked Questions

What is the IUPAC name of bis(4-ethoxy-3-methylpiperazin-2-yl)methanone?
The IUPAC name of bis(4-ethoxy-3-methylpiperazin-2-yl)methanone (CID 174261469) is bis(4-ethoxy-3-methylpiperazin-2-yl)methanone.
What is the SMILES notation for bis(4-ethoxy-3-methylpiperazin-2-yl)methanone?
The canonical SMILES for bis(4-ethoxy-3-methylpiperazin-2-yl)methanone is CCON1CCNC(C(=O)C2NCCN(OCC)C2C)C1C.
What is the InChIKey of bis(4-ethoxy-3-methylpiperazin-2-yl)methanone?
The InChIKey is SKZMKINQLYQWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O3/c1-5-21-18-9-7-16-13(11(18)3)15(20)14-12(4)19(22-6-2)10-8-17-14/h11-14,16-17H,5-10H2,1-4H3.
What are the key properties of bis(4-ethoxy-3-methylpiperazin-2-yl)methanone?
bis(4-ethoxy-3-methylpiperazin-2-yl)methanone has a molecular weight of 314.43 g/mol, XLogP of -0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-ethoxy-3-methylpiperazin-2-yl)methanone is sourced from PubChem (CID 174261469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).