4-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide

C23H23N3O5 — CID 47033198

IUPAC4-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C23H23N3O5/c1-29-19-5-2-3-6-20(19)31-18-10-8-17(9-11-18)24-23(28)26-14-12-25(13-15-26)22(27)21-7-4-16-30-21/h2-11,16H,12-15H2,1H3,(H,24,28)
InChIKeyDCDFQUIOHRZJHT-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.07
Rot. Bonds5

About 4-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide

4-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide (PubChem CID 47033198) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide
PubChem CID47033198
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name4-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C23H23N3O5/c1-29-19-5-2-3-6-20(19)31-18-10-8-17(9-11-18)24-23(28)26-14-12-25(13-15-26)22(27)21-7-4-16-30-21/h2-11,16H,12-15H2,1H3,(H,24,28)
InChIKeyDCDFQUIOHRZJHT-UHFFFAOYSA-N
XLogP4.07
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide (CID 47033198) is 4-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide is COc1ccccc1Oc1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of 4-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide?
The InChIKey is DCDFQUIOHRZJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-29-19-5-2-3-6-20(19)31-18-10-8-17(9-11-18)24-23(28)26-14-12-25(13-15-26)22(27)21-7-4-16-30-21/h2-11,16H,12-15H2,1H3,(H,24,28).
What are the key properties of 4-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide?
4-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 421.45 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 47033198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).