1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

C17H25N3O3 — CID 78789970

IUPAC1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)N1CCCCCC1
InChIInChI=1S/C17H25N3O3/c21-16(19-7-3-1-2-4-8-19)14-18-9-11-20(12-10-18)17(22)15-6-5-13-23-15/h5-6,13H,1-4,7-12,14H2
InChIKeyRPFPTZRQISFSJC-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.44
Rot. Bonds3

About 1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 78789970) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID78789970
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)N1CCCCCC1
InChIInChI=1S/C17H25N3O3/c21-16(19-7-3-1-2-4-8-19)14-18-9-11-20(12-10-18)17(22)15-6-5-13-23-15/h5-6,13H,1-4,7-12,14H2
InChIKeyRPFPTZRQISFSJC-UHFFFAOYSA-N
XLogP1.44
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.44
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
2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440443
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
azepan-1-yl(furan-2-yl)methanone
CID 5200992
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 55119191
3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 17476381
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8544458
3-(azepan-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030070
1-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one
CID 74239747
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 42859131
N'-acetyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetohydrazide
CID 8548952
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (CID 78789970) is 1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is O=C(CN1CCN(C(=O)c2ccco2)CC1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is RPFPTZRQISFSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-16(19-7-3-1-2-4-8-19)14-18-9-11-20(12-10-18)17(22)15-6-5-13-23-15/h5-6,13H,1-4,7-12,14H2.
What are the key properties of 1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 319.40 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 78789970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).