N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide

C20H24N4O5 — CID 3127685

IUPACN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C20H24N4O5/c1-28-16-6-4-15(5-7-16)22-19(26)18(25)21-8-9-23-10-12-24(13-11-23)20(27)17-3-2-14-29-17/h2-7,14H,8-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyBDNFJWLDHHXALI-UHFFFAOYSA-N
MW400.44 g/mol
LogP0.80
Rot. Bonds6

About N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide

N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide (PubChem CID 3127685) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide
PubChem CID3127685
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC NameN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C20H24N4O5/c1-28-16-6-4-15(5-7-16)22-19(26)18(25)21-8-9-23-10-12-24(13-11-23)20(27)17-3-2-14-29-17/h2-7,14H,8-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyBDNFJWLDHHXALI-UHFFFAOYSA-N
XLogP0.80
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide?
The IUPAC name of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide (CID 3127685) is N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide.
What is the SMILES notation for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide?
The canonical SMILES for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide?
The InChIKey is BDNFJWLDHHXALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5/c1-28-16-6-4-15(5-7-16)22-19(26)18(25)21-8-9-23-10-12-24(13-11-23)20(27)17-3-2-14-29-17/h2-7,14H,8-13H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide?
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide has a molecular weight of 400.44 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide is sourced from PubChem (CID 3127685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).