2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone

C16H23N3O3 — CID 1452094

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)N1CCCCC1
InChIInChI=1S/C16H23N3O3/c20-15(18-6-2-1-3-7-18)13-17-8-10-19(11-9-17)16(21)14-5-4-12-22-14/h4-5,12H,1-3,6-11,13H2
InChIKeyFEFVPMDLUMUFFY-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.05
Rot. Bonds3

About 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 1452094) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID1452094
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)N1CCCCC1
InChIInChI=1S/C16H23N3O3/c20-15(18-6-2-1-3-7-18)13-17-8-10-19(11-9-17)16(21)14-5-4-12-22-14/h4-5,12H,1-3,6-11,13H2
InChIKeyFEFVPMDLUMUFFY-UHFFFAOYSA-N
XLogP1.05
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 78789970
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 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone (CID 1452094) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone is O=C(CN1CCN(C(=O)c2ccco2)CC1)N1CCCCC1.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is FEFVPMDLUMUFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c20-15(18-6-2-1-3-7-18)13-17-8-10-19(11-9-17)16(21)14-5-4-12-22-14/h4-5,12H,1-3,6-11,13H2.
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 305.38 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 1452094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).