5-(phenoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide

C24H27N3O3 — CID 43066958

IUPAC5-(phenoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C24H27N3O3/c28-24(23-12-11-22(30-23)19-29-21-9-5-2-6-10-21)25-13-14-26-15-17-27(18-16-26)20-7-3-1-4-8-20/h1-12H,13-19H2,(H,25,28)
InChIKeyGVNKJEPVGXSZES-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.41
Rot. Bonds8

About 5-(phenoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide

5-(phenoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide (PubChem CID 43066958) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-(phenoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(phenoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide
PubChem CID43066958
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name5-(phenoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C24H27N3O3/c28-24(23-12-11-22(30-23)19-29-21-9-5-2-6-10-21)25-13-14-26-15-17-27(18-16-26)20-7-3-1-4-8-20/h1-12H,13-19H2,(H,25,28)
InChIKeyGVNKJEPVGXSZES-UHFFFAOYSA-N
XLogP3.41
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]furan-2-carboxamide
CID 55861118
N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78840822
3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid
CID 126200596
5-[(2,6-dimethylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 19446953
N-(2-morpholin-4-ylethyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19461514
2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 82043257
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 42266128
2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide
CID 30899733
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 9463031
5-(methoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]furan-2-carboxamide
CID 78873190

Frequently Asked Questions

What is the IUPAC name of 5-(phenoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(phenoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide (CID 43066958) is 5-(phenoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(phenoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(phenoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide is O=C(NCCN1CCN(c2ccccc2)CC1)c1ccc(COc2ccccc2)o1.
What is the InChIKey of 5-(phenoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide?
The InChIKey is GVNKJEPVGXSZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c28-24(23-12-11-22(30-23)19-29-21-9-5-2-6-10-21)25-13-14-26-15-17-27(18-16-26)20-7-3-1-4-8-20/h1-12H,13-19H2,(H,25,28).
What are the key properties of 5-(phenoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide?
5-(phenoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 43066958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).