(2E,4E)-1-[4-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]piperazin-1-yl]hexa-2,4-dien-1-one

C17H27N3O3 — CID 95621245

IUPAC(2E,4E)-1-[4-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]piperazin-1-yl]hexa-2,4-dien-1-one
SMILESC/C=C/C=C/C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H27N3O3/c1-3-4-5-6-16(21)19-9-7-18(8-10-19)15(2)17(22)20-11-13-23-14-12-20/h3-6,15H,7-14H2,1-2H3/b4-3+,6-5+/t15-/m0/s1
InChIKeyRICRYDUYPCCOKB-BIVGAZQVSA-N
MW321.42 g/mol
LogP0.51
Rot. Bonds4

About (2E,4E)-1-[4-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]piperazin-1-yl]hexa-2,4-dien-1-one

(2E,4E)-1-[4-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]piperazin-1-yl]hexa-2,4-dien-1-one (PubChem CID 95621245) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is (2E,4E)-1-[4-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]piperazin-1-yl]hexa-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-1-[4-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]piperazin-1-yl]hexa-2,4-dien-1-one
PubChem CID95621245
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name(2E,4E)-1-[4-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]piperazin-1-yl]hexa-2,4-dien-1-one
SMILESC/C=C/C=C/C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H27N3O3/c1-3-4-5-6-16(21)19-9-7-18(8-10-19)15(2)17(22)20-11-13-23-14-12-20/h3-6,15H,7-14H2,1-2H3/b4-3+,6-5+/t15-/m0/s1
InChIKeyRICRYDUYPCCOKB-BIVGAZQVSA-N
XLogP0.51
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

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CID 143019024
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1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one;dihydrochloride
CID 50988307
(E)-1,4-dimorpholin-4-ylbut-2-ene-1,4-dione
CID 728972
1-morpholin-4-yl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;dihydrochloride
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(2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95318440
2-methyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]propanenitrile
CID 60681866
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 78808588
(2S)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95303672
(2E,4E)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)hexa-2,4-dien-1-one
CID 110838701
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 78786208
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 46614351

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-[4-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]piperazin-1-yl]hexa-2,4-dien-1-one?
The IUPAC name of (2E,4E)-1-[4-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]piperazin-1-yl]hexa-2,4-dien-1-one (CID 95621245) is (2E,4E)-1-[4-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]piperazin-1-yl]hexa-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-1-[4-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]piperazin-1-yl]hexa-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-1-[4-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]piperazin-1-yl]hexa-2,4-dien-1-one is C/C=C/C=C/C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1.
What is the InChIKey of (2E,4E)-1-[4-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]piperazin-1-yl]hexa-2,4-dien-1-one?
The InChIKey is RICRYDUYPCCOKB-BIVGAZQVSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-3-4-5-6-16(21)19-9-7-18(8-10-19)15(2)17(22)20-11-13-23-14-12-20/h3-6,15H,7-14H2,1-2H3/b4-3+,6-5+/t15-/m0/s1.
What are the key properties of (2E,4E)-1-[4-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]piperazin-1-yl]hexa-2,4-dien-1-one?
(2E,4E)-1-[4-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]piperazin-1-yl]hexa-2,4-dien-1-one has a molecular weight of 321.42 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-[4-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]piperazin-1-yl]hexa-2,4-dien-1-one is sourced from PubChem (CID 95621245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).