2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide

C21H27N3O4 — CID 87016342

IUPAC2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide
SMILESCc1cccc(OCCCNC(=O)CN2CCN(C(=O)c3ccoc3)CC2)c1
InChIInChI=1S/C21H27N3O4/c1-17-4-2-5-19(14-17)28-12-3-7-22-20(25)15-23-8-10-24(11-9-23)21(26)18-6-13-27-16-18/h2,4-6,13-14,16H,3,7-12,15H2,1H3,(H,22,25)
InChIKeyVFCHCWLQVFUKHZ-UHFFFAOYSA-N
MW385.46 g/mol
LogP1.93
Rot. Bonds8

About 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide

2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide (PubChem CID 87016342) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide.

Molecular Properties

Compound Name2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide
PubChem CID87016342
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide
SMILESCc1cccc(OCCCNC(=O)CN2CCN(C(=O)c3ccoc3)CC2)c1
InChIInChI=1S/C21H27N3O4/c1-17-4-2-5-19(14-17)28-12-3-7-22-20(25)15-23-8-10-24(11-9-23)21(26)18-6-13-27-16-18/h2,4-6,13-14,16H,3,7-12,15H2,1H3,(H,22,25)
InChIKeyVFCHCWLQVFUKHZ-UHFFFAOYSA-N
XLogP1.93
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 34833982
N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide
CID 35358737
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide
CID 78899164
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 32531171
2-(2,6-dimethylmorpholin-4-yl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 87012344
N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8945118
[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 110638188
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-[2-(3,5-dimethylphenoxy)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 51125128
N'-[2-(3-methylphenoxy)acetyl]furan-3-carbohydrazide
CID 51264727
N-[3-(3-methylphenoxy)propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 31339031
N-[2-(3-methylphenoxy)ethyl]-2-(4-pyrazolidin-3-ylpiperidin-1-yl)acetamide
CID 75617168

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide?
The IUPAC name of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide (CID 87016342) is 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide.
What is the SMILES notation for 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide?
The canonical SMILES for 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide is Cc1cccc(OCCCNC(=O)CN2CCN(C(=O)c3ccoc3)CC2)c1.
What is the InChIKey of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide?
The InChIKey is VFCHCWLQVFUKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-17-4-2-5-19(14-17)28-12-3-7-22-20(25)15-23-8-10-24(11-9-23)21(26)18-6-13-27-16-18/h2,4-6,13-14,16H,3,7-12,15H2,1H3,(H,22,25).
What are the key properties of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide?
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide has a molecular weight of 385.46 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide is sourced from PubChem (CID 87016342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).