1-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one

C17H23N3O4 — CID 74239747

IUPAC1-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one
SMILESO=C(CN1CCCCC1=O)N1CCCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H23N3O4/c21-15-6-1-2-7-20(15)13-16(22)18-8-4-9-19(11-10-18)17(23)14-5-3-12-24-14/h3,5,12H,1-2,4,6-11,13H2
InChIKeyXSGHIHBFAMHJMI-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.97
Rot. Bonds3

About 1-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one

1-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one (PubChem CID 74239747) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one
PubChem CID74239747
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name1-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one
SMILESO=C(CN1CCCCC1=O)N1CCCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H23N3O4/c21-15-6-1-2-7-20(15)13-16(22)18-8-4-9-19(11-10-18)17(23)14-5-3-12-24-14/h3,5,12H,1-2,4,6-11,13H2
InChIKeyXSGHIHBFAMHJMI-UHFFFAOYSA-N
XLogP0.97
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 1452094
1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 78789970
azepan-1-yl(furan-2-yl)methanone
CID 5200992
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440443
4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3H-1,4-benzoxazin-2-one
CID 39068775
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 55119191
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
3-(azepan-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030070
methyl 4-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-4-oxobutanoate
CID 110797620
1-(furan-2-carbonyl)pyrrolidin-2-one
CID 14424878
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one?
The IUPAC name of 1-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one (CID 74239747) is 1-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one is O=C(CN1CCCCC1=O)N1CCCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one?
The InChIKey is XSGHIHBFAMHJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c21-15-6-1-2-7-20(15)13-16(22)18-8-4-9-19(11-10-18)17(23)14-5-3-12-24-14/h3,5,12H,1-2,4,6-11,13H2.
What are the key properties of 1-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one?
1-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one has a molecular weight of 333.39 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 74239747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).