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

C22H28N4O3 — CID 37377595

IUPAC1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H28N4O3/c27-21(25-12-8-23(9-13-25)17-19-5-2-1-3-6-19)18-24-10-14-26(15-11-24)22(28)20-7-4-16-29-20/h1-7,16H,8-15,17-18H2
InChIKeySXCLHAMDKFEGNO-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.38
Rot. Bonds5

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

1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 37377595) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID37377595
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H28N4O3/c27-21(25-12-8-23(9-13-25)17-19-5-2-1-3-6-19)18-24-10-14-26(15-11-24)22(28)20-7-4-16-29-20/h1-7,16H,8-15,17-18H2
InChIKeySXCLHAMDKFEGNO-UHFFFAOYSA-N
XLogP1.38
TPSA60.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8544458
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 55119191
2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440443
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]-N-phenylacetamide
CID 773151
furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 648203
1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851
1-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 110358782
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 26495597

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (CID 37377595) is 1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is O=C(CN1CCN(C(=O)c2ccco2)CC1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is SXCLHAMDKFEGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c27-21(25-12-8-23(9-13-25)17-19-5-2-1-3-6-19)18-24-10-14-26(15-11-24)22(28)20-7-4-16-29-20/h1-7,16H,8-15,17-18H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 396.49 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 37377595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).