[4-(aminomethyl)oxan-4-yl]-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone

C16H31N3O3 — CID 120941325

IUPAC[4-(aminomethyl)oxan-4-yl]-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCCC1CN(C(=O)C2(CN)CCOCC2)CCN1CCOC
InChIInChI=1S/C16H31N3O3/c1-3-14-12-19(7-6-18(14)8-11-21-2)15(20)16(13-17)4-9-22-10-5-16/h14H,3-13,17H2,1-2H3
InChIKeyMRWGYEMTQMNUSW-UHFFFAOYSA-N
MW313.44 g/mol
LogP0.31
Rot. Bonds6

About [4-(aminomethyl)oxan-4-yl]-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone

[4-(aminomethyl)oxan-4-yl]-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone (PubChem CID 120941325) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone
PubChem CID120941325
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Name[4-(aminomethyl)oxan-4-yl]-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCCC1CN(C(=O)C2(CN)CCOCC2)CCN1CCOC
InChIInChI=1S/C16H31N3O3/c1-3-14-12-19(7-6-18(14)8-11-21-2)15(20)16(13-17)4-9-22-10-5-16/h14H,3-13,17H2,1-2H3
InChIKeyMRWGYEMTQMNUSW-UHFFFAOYSA-N
XLogP0.31
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(aminomethyl)oxan-4-yl]-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(1-aminocyclohexyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119880395
(1-aminocyclopropyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone
CID 119880418
(2S)-2-amino-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119880381
1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-4-(methylamino)butan-1-one;dihydrochloride
CID 119880349
(1-aminocyclopentyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone;dihydrochloride
CID 119880445
[4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride
CID 120925164
[4-(aminomethyl)oxan-4-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112624832
[4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 62367937
4-[4-(aminomethyl)oxane-4-carbonyl]-N,N-diethylpiperazine-1-carboxamide
CID 120923590
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 115439212
4-[4-(aminomethyl)oxane-4-carbonyl]-N-ethylpiperazine-1-carboxamide;hydrochloride
CID 120920168
[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone
CID 86966440

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone (CID 120941325) is [4-(aminomethyl)oxan-4-yl]-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone is CCC1CN(C(=O)C2(CN)CCOCC2)CCN1CCOC.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone?
The InChIKey is MRWGYEMTQMNUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-3-14-12-19(7-6-18(14)8-11-21-2)15(20)16(13-17)4-9-22-10-5-16/h14H,3-13,17H2,1-2H3.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone?
[4-(aminomethyl)oxan-4-yl]-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone has a molecular weight of 313.44 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120941325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).