2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone

C16H23N3O4 — CID 129368099

IUPAC2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCCN(C(=O)c2ccoc2)CC1)N1CCOCC1
InChIInChI=1S/C16H23N3O4/c20-15(18-7-10-22-11-8-18)12-17-3-1-4-19(6-5-17)16(21)14-2-9-23-13-14/h2,9,13H,1,3-8,10-12H2
InChIKeyMRJRGPYMEMBBCR-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.29
Rot. Bonds3

About 2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone

2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone (PubChem CID 129368099) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone
PubChem CID129368099
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCCN(C(=O)c2ccoc2)CC1)N1CCOCC1
InChIInChI=1S/C16H23N3O4/c20-15(18-7-10-22-11-8-18)12-17-3-1-4-19(6-5-17)16(21)14-2-9-23-13-14/h2,9,13H,1,3-8,10-12H2
InChIKeyMRJRGPYMEMBBCR-UHFFFAOYSA-N
XLogP0.29
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 17441973
1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 17402282
furan-3-yl-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]methanone
CID 110905169
2-[4-(4-methylsulfanylbenzoyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78858899
furan-3-yl-[4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazin-1-yl]methanone
CID 111976736
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31151705
4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide
CID 32693348
3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one
CID 78896045
1-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496775
2-[4-(4-fluoro-3-methylbenzoyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 56825777
1-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 43038526
1-(3-benzoylimidazolidin-1-yl)-2-morpholin-4-ylethanone
CID 4558528

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone (CID 129368099) is 2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone is O=C(CN1CCCN(C(=O)c2ccoc2)CC1)N1CCOCC1.
What is the InChIKey of 2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is MRJRGPYMEMBBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c20-15(18-7-10-22-11-8-18)12-17-3-1-4-19(6-5-17)16(21)14-2-9-23-13-14/h2,9,13H,1,3-8,10-12H2.
What are the key properties of 2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone?
2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 321.38 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 129368099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).