N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-methoxybenzamide

C23H23N3O4 — CID 3161473

IUPACN-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)c1
InChIInChI=1S/C23H23N3O4/c1-29-20-5-2-4-17(16-20)22(27)24-18-7-9-19(10-8-18)25-11-13-26(14-12-25)23(28)21-6-3-15-30-21/h2-10,15-16H,11-14H2,1H3,(H,24,27)
InChIKeyFQEBANUXHHOZFC-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.50
Rot. Bonds5

About N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-methoxybenzamide

N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-methoxybenzamide (PubChem CID 3161473) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-methoxybenzamide
PubChem CID3161473
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)c1
InChIInChI=1S/C23H23N3O4/c1-29-20-5-2-4-17(16-20)22(27)24-18-7-9-19(10-8-18)25-11-13-26(14-12-25)23(28)21-6-3-15-30-21/h2-10,15-16H,11-14H2,1H3,(H,24,27)
InChIKeyFQEBANUXHHOZFC-UHFFFAOYSA-N
XLogP3.50
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.50
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

3-fluoro-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 649966
3-chloro-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 1088826
N-[4-[(3-methoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 780805
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
ethyl 4-[4-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate
CID 112984389
N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]-3-(2-methylpropoxy)benzamide
CID 17128061
3-methoxy-N-[4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]phenyl]benzamide
CID 1057837
3-methoxy-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide
CID 3949255
N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide
CID 3775662
3-chloro-N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methylbenzamide
CID 1395424
2-bromo-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 2231786
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-3-methoxybenzamide
CID 7601104

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-methoxybenzamide (CID 3161473) is N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)c1.
What is the InChIKey of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-methoxybenzamide?
The InChIKey is FQEBANUXHHOZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-29-20-5-2-4-17(16-20)22(27)24-18-7-9-19(10-8-18)25-11-13-26(14-12-25)23(28)21-6-3-15-30-21/h2-10,15-16H,11-14H2,1H3,(H,24,27).
What are the key properties of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-methoxybenzamide?
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-methoxybenzamide has a molecular weight of 405.45 g/mol, XLogP of 3.50, 5 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]-3-methoxybenzamide is sourced from PubChem (CID 3161473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).