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

C24H25N3O4 — CID 3161569

IUPACN-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C24H25N3O4/c1-18-5-2-3-6-21(18)31-17-23(28)25-19-8-10-20(11-9-19)26-12-14-27(15-13-26)24(29)22-7-4-16-30-22/h2-11,16H,12-15,17H2,1H3,(H,25,28)
InChIKeyDNVBLEZZJSQJBT-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.57
Rot. Bonds6

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

N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(2-methylphenoxy)acetamide (PubChem CID 3161569) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(2-methylphenoxy)acetamide
PubChem CID3161569
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C24H25N3O4/c1-18-5-2-3-6-21(18)31-17-23(28)25-19-8-10-20(11-9-19)26-12-14-27(15-13-26)24(29)22-7-4-16-30-22/h2-11,16H,12-15,17H2,1H3,(H,25,28)
InChIKeyDNVBLEZZJSQJBT-UHFFFAOYSA-N
XLogP3.57
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-methylphenoxy)acetamide
CID 3161566
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1397624
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 3287897
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(2,4-dimethylphenoxy)acetamide
CID 17111893
2-(2,4-dimethylphenoxy)-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 979705
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8704277
N-[4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 17092069
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide
CID 112984587
N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide
CID 3775662
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dimethylphenoxy)acetamide
CID 1090215
N-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide
CID 42857103
furan-2-yl-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 110411430

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(2-methylphenoxy)acetamide (CID 3161569) is N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is DNVBLEZZJSQJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-18-5-2-3-6-21(18)31-17-23(28)25-19-8-10-20(11-9-19)26-12-14-27(15-13-26)24(29)22-7-4-16-30-22/h2-11,16H,12-15,17H2,1H3,(H,25,28).
What are the key properties of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(2-methylphenoxy)acetamide?
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 419.48 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 3161569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).