1-(5-methylfuran-2-yl)-2-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]ethanone

C23H31N3O2 — CID 158028049

IUPAC1-(5-methylfuran-2-yl)-2-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]ethanone
SMILESCc1ccc(C(=O)Cc2ccc(N3CCN([11CH3])CC3)cc2N2CCCCC2)o1
InChIInChI=1S/C23H31N3O2/c1-18-6-9-23(28-18)22(27)16-19-7-8-20(25-14-12-24(2)13-15-25)17-21(19)26-10-4-3-5-11-26/h6-9,17H,3-5,10-16H2,1-2H3/i2-1
InChIKeyFGVMHZVAZIIWLV-JVVVGQRLSA-N
MW380.52 g/mol
LogP3.76
Rot. Bonds5

About 1-(5-methylfuran-2-yl)-2-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]ethanone

1-(5-methylfuran-2-yl)-2-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]ethanone (PubChem CID 158028049) has the molecular formula C23H31N3O2 and a molecular weight of 380.52 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-2-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]ethanone.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-2-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]ethanone
PubChem CID158028049
Molecular FormulaC23H31N3O2
Molecular Weight380.52 g/mol
Exact Mass380.25
IUPAC Name1-(5-methylfuran-2-yl)-2-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]ethanone
SMILESCc1ccc(C(=O)Cc2ccc(N3CCN([11CH3])CC3)cc2N2CCCCC2)o1
InChIInChI=1S/C23H31N3O2/c1-18-6-9-23(28-18)22(27)16-19-7-8-20(25-14-12-24(2)13-15-25)17-21(19)26-10-4-3-5-11-26/h6-9,17H,3-5,10-16H2,1-2H3/i2-1
InChIKeyFGVMHZVAZIIWLV-JVVVGQRLSA-N
XLogP3.76
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-methylfuran-2-yl)-2-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]ethanone with MolForge

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Related Compounds

5-[2-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]acetyl]furan-2-carbonitrile
CID 158007562
5-[2-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]acetyl]furan-2-carbonitrile
CID 158007561
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 137371002
2-[4-(4-methylpiperazin-1-yl)phenyl]acetic acid
CID 28807075
2-(4-chlorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 17484787
1-(4-benzyl-3-pyrrolidin-1-ylphenyl)azepane
CID 132507464
2-(4-methylphenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16563389
ethane;1-methyl-4-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine
CID 143579449
2-[[2-(4-methoxyphenyl)acetyl]amino]-5-(4-methyl-1,4-diazepan-1-yl)benzoic acid
CID 50782928
[4-(azepan-1-yl)-2-methylphenyl]methanol
CID 62136548
2-ethyl-5-(4-methylpiperazin-1-yl)aniline
CID 39244247

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-2-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]ethanone?
The IUPAC name of 1-(5-methylfuran-2-yl)-2-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]ethanone (CID 158028049) is 1-(5-methylfuran-2-yl)-2-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]ethanone.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-2-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]ethanone?
The canonical SMILES for 1-(5-methylfuran-2-yl)-2-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]ethanone is Cc1ccc(C(=O)Cc2ccc(N3CCN([11CH3])CC3)cc2N2CCCCC2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-2-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]ethanone?
The InChIKey is FGVMHZVAZIIWLV-JVVVGQRLSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-18-6-9-23(28-18)22(27)16-19-7-8-20(25-14-12-24(2)13-15-25)17-21(19)26-10-4-3-5-11-26/h6-9,17H,3-5,10-16H2,1-2H3/i2-1.
What are the key properties of 1-(5-methylfuran-2-yl)-2-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]ethanone?
1-(5-methylfuran-2-yl)-2-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]ethanone has a molecular weight of 380.52 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-2-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]ethanone is sourced from PubChem (CID 158028049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).