1-[5-[(4-acetylpiperazin-1-yl)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone

C20H32N4O3 — CID 123725845

IUPAC1-[5-[(4-acetylpiperazin-1-yl)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone
SMILESCC(=O)N1CCN(Cc2ccc(C(=O)CNCCN3CCCCC3)o2)CC1
InChIInChI=1S/C20H32N4O3/c1-17(25)24-13-11-23(12-14-24)16-18-5-6-20(27-18)19(26)15-21-7-10-22-8-3-2-4-9-22/h5-6,21H,2-4,7-16H2,1H3
InChIKeyYBSDANQLPWUHBU-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.20
Rot. Bonds8

About 1-[5-[(4-acetylpiperazin-1-yl)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone

1-[5-[(4-acetylpiperazin-1-yl)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone (PubChem CID 123725845) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[5-[(4-acetylpiperazin-1-yl)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone.

Molecular Properties

Compound Name1-[5-[(4-acetylpiperazin-1-yl)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone
PubChem CID123725845
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name1-[5-[(4-acetylpiperazin-1-yl)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone
SMILESCC(=O)N1CCN(Cc2ccc(C(=O)CNCCN3CCCCC3)o2)CC1
InChIInChI=1S/C20H32N4O3/c1-17(25)24-13-11-23(12-14-24)16-18-5-6-20(27-18)19(26)15-21-7-10-22-8-3-2-4-9-22/h5-6,21H,2-4,7-16H2,1H3
InChIKeyYBSDANQLPWUHBU-UHFFFAOYSA-N
XLogP1.20
TPSA69.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[5-[(4-acetylpiperazin-1-yl)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone with MolForge

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Related Compounds

1-[5-[(furan-2-ylmethylamino)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone
CID 123173796
N,N-dimethyl-4-[[4-[2-(2-piperidin-1-ylethylamino)acetyl]phenyl]methyl]piperazine-1-carboxamide
CID 123889956
oxalic acid;5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 45156284
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
5-[[4-(2-carboxyethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid
CID 82323103
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 131918948
5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 55214583
5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
CID 42858759
methyl 5-[[4-(1-methylpyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate
CID 3345183
N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414016
N-(1-methylpyrazol-3-yl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416098

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-acetylpiperazin-1-yl)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone?
The IUPAC name of 1-[5-[(4-acetylpiperazin-1-yl)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone (CID 123725845) is 1-[5-[(4-acetylpiperazin-1-yl)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone.
What is the SMILES notation for 1-[5-[(4-acetylpiperazin-1-yl)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone?
The canonical SMILES for 1-[5-[(4-acetylpiperazin-1-yl)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone is CC(=O)N1CCN(Cc2ccc(C(=O)CNCCN3CCCCC3)o2)CC1.
What is the InChIKey of 1-[5-[(4-acetylpiperazin-1-yl)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone?
The InChIKey is YBSDANQLPWUHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-17(25)24-13-11-23(12-14-24)16-18-5-6-20(27-18)19(26)15-21-7-10-22-8-3-2-4-9-22/h5-6,21H,2-4,7-16H2,1H3.
What are the key properties of 1-[5-[(4-acetylpiperazin-1-yl)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone?
1-[5-[(4-acetylpiperazin-1-yl)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone has a molecular weight of 376.50 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-acetylpiperazin-1-yl)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone is sourced from PubChem (CID 123725845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).