N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide

C19H23N3O3 — CID 953772

IUPACN-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
SMILESCC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccco2)CC1
InChIInChI=1S/C19H23N3O3/c1-14(2)19(24)22-11-9-21(10-12-22)16-7-4-3-6-15(16)20-18(23)17-8-5-13-25-17/h3-8,13-14H,9-12H2,1-2H3,(H,20,23)
InChIKeyAVPSKJFPEIHVEH-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.84
Rot. Bonds4

About N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide

N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide (PubChem CID 953772) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
PubChem CID953772
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
SMILESCC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccco2)CC1
InChIInChI=1S/C19H23N3O3/c1-14(2)19(24)22-11-9-21(10-12-22)16-7-4-3-6-15(16)20-18(23)17-8-5-13-25-17/h3-8,13-14H,9-12H2,1-2H3,(H,20,23)
InChIKeyAVPSKJFPEIHVEH-UHFFFAOYSA-N
XLogP2.84
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide (CID 953772) is N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide is CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccco2)CC1.
What is the InChIKey of N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide?
The InChIKey is AVPSKJFPEIHVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14(2)19(24)22-11-9-21(10-12-22)16-7-4-3-6-15(16)20-18(23)17-8-5-13-25-17/h3-8,13-14H,9-12H2,1-2H3,(H,20,23).
What are the key properties of N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide?
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 953772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).