2-[4-[(E)-1-aminobut-1-enyl]piperazin-1-yl]-1-morpholin-4-ylethanone

C14H26N4O2 — CID 134406789

IUPAC2-[4-[(E)-1-aminobut-1-enyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCC/C=C(\N)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C14H26N4O2/c1-2-3-13(15)17-6-4-16(5-7-17)12-14(19)18-8-10-20-11-9-18/h3H,2,4-12,15H2,1H3/b13-3+
InChIKeyNNUBPXHXEUWLNJ-QLKAYGNNSA-N
MW282.39 g/mol
LogP-0.33
Rot. Bonds4

About 2-[4-[(E)-1-aminobut-1-enyl]piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-[(E)-1-aminobut-1-enyl]piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 134406789) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[4-[(E)-1-aminobut-1-enyl]piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[(E)-1-aminobut-1-enyl]piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID134406789
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-[4-[(E)-1-aminobut-1-enyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCC/C=C(\N)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C14H26N4O2/c1-2-3-13(15)17-6-4-16(5-7-17)12-14(19)18-8-10-20-11-9-18/h3H,2,4-12,15H2,1H3/b13-3+
InChIKeyNNUBPXHXEUWLNJ-QLKAYGNNSA-N
XLogP-0.33
TPSA62.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(E)-1-aminobut-1-enyl]piperazin-1-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

N,N-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 52542447
2-(4-tert-butylpiperazin-1-yl)-1-morpholin-4-ylethanone
CID 21061564
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840080
(2R)-2-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840052
(2S)-2-amino-4-methyl-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 119834293
2-(4-aminopiperidin-1-yl)-1-morpholin-4-ylethanone;dihydrochloride
CID 56773516
3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 43396296
1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 55515697
methyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
CID 55505875
4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119834225
3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 71318447
2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 17441973

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-1-aminobut-1-enyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[(E)-1-aminobut-1-enyl]piperazin-1-yl]-1-morpholin-4-ylethanone (CID 134406789) is 2-[4-[(E)-1-aminobut-1-enyl]piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[(E)-1-aminobut-1-enyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[(E)-1-aminobut-1-enyl]piperazin-1-yl]-1-morpholin-4-ylethanone is CC/C=C(\N)N1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-[4-[(E)-1-aminobut-1-enyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is NNUBPXHXEUWLNJ-QLKAYGNNSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-2-3-13(15)17-6-4-16(5-7-17)12-14(19)18-8-10-20-11-9-18/h3H,2,4-12,15H2,1H3/b13-3+.
What are the key properties of 2-[4-[(E)-1-aminobut-1-enyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[(E)-1-aminobut-1-enyl]piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 282.39 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-1-aminobut-1-enyl]piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 134406789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).