1-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone

C18H27N3O3 — CID 167956955

IUPAC1-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)C2CC3C=CC2C3)CC1
InChIInChI=1S/C18H27N3O3/c22-17(13-19-7-9-24-10-8-19)20-3-5-21(6-4-20)18(23)16-12-14-1-2-15(16)11-14/h1-2,14-16H,3-13H2
InChIKeyKNSSORTUHDFSHN-UHFFFAOYSA-N
MW333.43 g/mol
LogP0.20
Rot. Bonds3

About 1-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 167956955) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID167956955
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)C2CC3C=CC2C3)CC1
InChIInChI=1S/C18H27N3O3/c22-17(13-19-7-9-24-10-8-19)20-3-5-21(6-4-20)18(23)16-12-14-1-2-15(16)11-14/h1-2,14-16H,3-13H2
InChIKeyKNSSORTUHDFSHN-UHFFFAOYSA-N
XLogP0.20
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 119840026
2-[4-(morpholine-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 119834280
3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 71318447
2-[4-[2-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 86914646
1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 120938500
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840080
[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 98330437
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688043
2-bicyclo[2.2.1]hept-5-enyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551690
2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 119834234
[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone
CID 98307260
1-morpholin-4-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119834289

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone (CID 167956955) is 1-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCN(C(=O)C2CC3C=CC2C3)CC1.
What is the InChIKey of 1-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is KNSSORTUHDFSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c22-17(13-19-7-9-24-10-8-19)20-3-5-21(6-4-20)18(23)16-12-14-1-2-15(16)11-14/h1-2,14-16H,3-13H2.
What are the key properties of 1-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 333.43 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 167956955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).